Chemical ID: 4556997

c1c(nc(=O)n(n1)C2CCCO2)N
Chemical ID:
4556997
Name [?]:
5-amino-2-tetrahydrofuran-2-yl-1,2,4-triazin-3-one
SMILES [?]:
c1c(nc(=O)n(n1)C2CCCO2)N
InChi [?]:
InChI=1/C7H10N4O2/c8-5-4-9-11(7(12)10-5)6-2-1-3-13-6/h4,6H,1-3H2,(H2,8,10,12)
InChi Info:
AuxInfo=1/1/N:10,9,11,1,2,8,4,13,7,3,6,5,12/rA:13cCCNCONNCCCCON/rB:s1;d2;s3;d4;s4;d1s6;s6;s8;s9;s10;s8s11;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.31017
Area:334.422
Solvation:-3.05037
Coulombic:-47.7098
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:182.18
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.5
LogP (Chemaxon):-0.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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