Chemical ID: 4671741

c1ccc(cc1)NCn2cncn2
Chemical ID:
4671741
Name [?]:
N-(1,2,4-triazol-1-ylmethyl)aniline
SMILES [?]:
c1ccc(cc1)NCn2cncn2
InChi [?]:
InChI=1/C9H10N4/c1-2-4-9(5-3-1)11-8-13-7-10-6-12-13/h1-7,11H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,8,4,11,7,13,9/E:(2,3)(4,5)/rA:13nCCCCCCNCNCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.50374
Area:353.024
Solvation:-2.32187
Coulombic:-21.9796
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:174.203
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.34
LogP (Chemaxon):1.32

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Descriptor Annotations

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