Chemical ID: 5238029

Cc1ccc(n1n2c(=N)[nH]nn2)C
Chemical ID:
5238029
Name [?]:
1-(2,5-dimethylpyrrol-1-yl)-4H-tetrazol-5-imine
SMILES [?]:
Cc1ccc(n1n2c(=N)[nH]nn2)C
InChi [?]:
InChI=1/C7H10N6/c1-5-3-4-6(2)12(5)13-7(8)9-10-11-13/h3-4H,1-2H3,(H2,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,13,3,4,2,5,8,9,10,11,12,6,7/E:(1,2)(3,4)(5,6)/rA:13nCCCCCNNCNNNNC/rB:s1;d2;s3;d4;s2s5;s6;s7;w8;s8;s10;s7d11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N6
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.01955
Area:329.198
Solvation:-2.2104
Coulombic:-23.0503
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:178.195
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:-0.3
LogP (Chemaxon):1.26

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Descriptor Annotations

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