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Chemical ID: 4748992
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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