Chemical ID: 4746813

Cc1cnnn1c2c(nn(c2C)C)C
Chemical ID:
4746813
Name [?]:
5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)-triazole
SMILES [?]:
Cc1cnnn1c2c(nn(c2C)C)C
InChi [?]:
InChI=1/C9H13N5/c1-6-5-10-12-14(6)9-7(2)11-13(4)8(9)3/h5H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,12,13,3,2,8,11,7,4,9,5,10,6/rA:14nCCCNNNCCNNCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d7s10;s11;s10;s8;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N5
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.31424
Area:353.499
Solvation:-2.52324
Coulombic:-6.18205
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.233
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.67
LogP (Chemaxon):-0.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue