Chemical ID: 5006595

c1c(c(=N)[nH][nH]1)C#N
Chemical ID:
5006595
Name [?]:
3-imino-1,2-dihydropyrazole-4-carbonitrile
SMILES [?]:
c1c(c(=N)[nH][nH]1)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:7,1,2,3,8,4,6,5/rA:8nCCCNNNCN/rB:d1;s2;w3;s3;s1s5;s2;t7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C4H4N4
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.59491
Area:260.119
Solvation:-1.90807
Coulombic:-31.0551
Bond Count [?]
All:8
Single:5
Double:2
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:108.102
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.41
LogP (Chemaxon):-0.6

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Descriptor Annotations

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