Chemical ID: 4731027

c1c(c(n[nH]1)N)C#N
Chemical ID:
4731027
Name [?]:
3-amino-1H-pyrazole-4-carbonitrile
SMILES [?]:
c1c(c(n[nH]1)N)C#N
InChi [?]:
InChI=1/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
InChi Info:
AuxInfo=1/1/N:7,1,2,3,8,6,5,4/rA:8nCCCNNNCN/rB:d1;s2;d3;s1s4;s3;s2;t7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N4
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.70754
Area:259.577
Solvation:-1.78188
Coulombic:-29.0679
Bond Count [?]
All:8
Single:5
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:108.102
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.37
LogP (Chemaxon):0.1

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Experimental Annotations

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Descriptor Annotations

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