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Chemical ID: 4746813
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
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Experimental Annotations
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Descriptor Annotations
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