1,5-diaminopyrazole-3,4-dicarbonitrile

C5H4N6 — CID 55289853

IUPAC1,5-diaminopyrazole-3,4-dicarbonitrile
SMILESN#Cc1nn(N)c(N)c1C#N
InChIInChI=1S/C5H4N6/c6-1-3-4(2-7)10-11(9)5(3)8/h8-9H2
InChIKeyNHEVBXVLKXNRMC-UHFFFAOYSA-N
MW148.13 g/mol
LogP-1.08
Rot. Bonds

About 1,5-diaminopyrazole-3,4-dicarbonitrile

1,5-diaminopyrazole-3,4-dicarbonitrile (PubChem CID 55289853) has the molecular formula C5H4N6 and a molecular weight of 148.13 g/mol. Its IUPAC name is 1,5-diaminopyrazole-3,4-dicarbonitrile.

Molecular Properties

Compound Name1,5-diaminopyrazole-3,4-dicarbonitrile
PubChem CID55289853
Molecular FormulaC5H4N6
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name1,5-diaminopyrazole-3,4-dicarbonitrile
SMILESN#Cc1nn(N)c(N)c1C#N
InChIInChI=1S/C5H4N6/c6-1-3-4(2-7)10-11(9)5(3)8/h8-9H2
InChIKeyNHEVBXVLKXNRMC-UHFFFAOYSA-N
XLogP-1.08
TPSA117.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-tert-butylpyrazole-3,4-dicarbonitrile
CID 15389840
1,5-diamino-3-phenylpyrazole-4-carbonitrile
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CID 168872851
5-amino-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3,4-dicarbonitrile
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5-amino-1-(2-oxo-2-pyridin-1-ium-1-ylethyl)pyrazole-3,4-dicarbonitrile bromide
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5-amino-1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]pyrazole-3,4-dicarbonitrile
CID 22618427
2-(5-amino-4-cyano-1-methylpyrazol-3-yl)acetic acid
CID 83856514
5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762264
3-amino-1-methylpyrazole-4,5-dicarbonitrile
CID 5231924
4-amino-7-piperidin-1-ylpyrazolo[5,1-c][1,2,4]triazine-3,8-dicarbonitrile
CID 71698706
3,5-diaminopyrazine-2,6-dicarbonitrile
CID 19022925
4,5-diamino-3,6-dibromobenzene-1,2-dicarbonitrile
CID 121374097

Frequently Asked Questions

What is the IUPAC name of 1,5-diaminopyrazole-3,4-dicarbonitrile?
The IUPAC name of 1,5-diaminopyrazole-3,4-dicarbonitrile (CID 55289853) is 1,5-diaminopyrazole-3,4-dicarbonitrile.
What is the SMILES notation for 1,5-diaminopyrazole-3,4-dicarbonitrile?
The canonical SMILES for 1,5-diaminopyrazole-3,4-dicarbonitrile is N#Cc1nn(N)c(N)c1C#N.
What is the InChIKey of 1,5-diaminopyrazole-3,4-dicarbonitrile?
The InChIKey is NHEVBXVLKXNRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6/c6-1-3-4(2-7)10-11(9)5(3)8/h8-9H2.
What are the key properties of 1,5-diaminopyrazole-3,4-dicarbonitrile?
1,5-diaminopyrazole-3,4-dicarbonitrile has a molecular weight of 148.13 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminopyrazole-3,4-dicarbonitrile is sourced from PubChem (CID 55289853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).