Chemical ID: 4748992

c1cn[nH]c1NC(=O)CC#N
Chemical ID:
4748992
Name [?]:
3-nitrido-N-(2H-pyrazol-3-yl)propanamide
SMILES [?]:
c1cn[nH]c1NC(=O)CC#N
InChi [?]:
InChI=1/C6H6N4O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1H2,(H2,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:9,1,10,2,5,7,11,3,6,4,8/rA:11nCCNNCNCOCCN/rB:s1;d2;s3;d1s4;s5;s6;d7;s7;s9;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.09558
Area:316.982
Solvation:-3.82899
Coulombic:-28.729
Bond Count [?]
All:11
Single:7
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.86
LogP (Chemaxon):-0.16

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Descriptor Annotations

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