Chemical ID: 4702425

c1c(c(n2c(n1)ncn2)O)n3cncn3
Chemical ID:
4702425
Name [?]:
3-(1,2,4-triazol-1-yl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraen-2-ol
SMILES [?]:
c1c(c(n2c(n1)ncn2)O)n3cncn3
InChi [?]:
InChI=1/C7H5N7O/c15-6-5(13-4-8-2-11-13)1-9-7-10-3-12-14(6)7/h1-4,15H
InChi Info:
AuxInfo=1/0/N:1,14,8,12,2,3,5,13,6,7,15,9,11,4,10/rA:15nCCCNCNNCNONCNCN/rB:s1;d2;s3;s4;d1s5;d5;s7;s4d8;s3;s2;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5N7O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.86926
Area:347.473
Solvation:-3.81756
Coulombic:-42.2415
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:203.161
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:-0.85
LogP (Chemaxon):-0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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