Chemical ID: 7112529

c1cc(oc1)CNn2cnnc2
Chemical ID:
7112529
Name [?]:
N-(2-furylmethyl)-1,2,4-triazol-4-amine
SMILES [?]:
c1cc(oc1)CNn2cnnc2
InChi [?]:
InChI=1/C7H8N4O/c1-2-7(12-3-1)4-10-11-5-8-9-6-11/h1-3,5-6,10H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,9,12,3,10,11,7,8,4/E:(5,6)(8,9)/rA:12nCCCOCCNNCNNC/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4O
All Atoms:20
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.49306
Area:328.69
Solvation:-3.7242
Coulombic:-20.1274
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.165
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.19
LogP (Chemaxon):-1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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