2-amino-1H-pyrrole-3,4-dicarbonitrile

C6H4N4 — CID 11819114

IUPAC2-amino-1H-pyrrole-3,4-dicarbonitrile
SMILESN#Cc1c[nH]c(N)c1C#N
InChIInChI=1S/C6H4N4/c7-1-4-3-10-6(9)5(4)2-8/h3,10H,9H2
InChIKeyXPOXIENTTZMLSE-UHFFFAOYSA-N
MW132.13 g/mol
LogP0.34
Rot. Bonds

About 2-amino-1H-pyrrole-3,4-dicarbonitrile

2-amino-1H-pyrrole-3,4-dicarbonitrile (PubChem CID 11819114) has the molecular formula C6H4N4 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-amino-1H-pyrrole-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1H-pyrrole-3,4-dicarbonitrile
PubChem CID11819114
Molecular FormulaC6H4N4
Molecular Weight132.13 g/mol
Exact Mass132.04
IUPAC Name2-amino-1H-pyrrole-3,4-dicarbonitrile
SMILESN#Cc1c[nH]c(N)c1C#N
InChIInChI=1S/C6H4N4/c7-1-4-3-10-6(9)5(4)2-8/h3,10H,9H2
InChIKeyXPOXIENTTZMLSE-UHFFFAOYSA-N
XLogP0.34
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-pyrrole-3,4-dicarbonitrile?
The IUPAC name of 2-amino-1H-pyrrole-3,4-dicarbonitrile (CID 11819114) is 2-amino-1H-pyrrole-3,4-dicarbonitrile.
What is the SMILES notation for 2-amino-1H-pyrrole-3,4-dicarbonitrile?
The canonical SMILES for 2-amino-1H-pyrrole-3,4-dicarbonitrile is N#Cc1c[nH]c(N)c1C#N.
What is the InChIKey of 2-amino-1H-pyrrole-3,4-dicarbonitrile?
The InChIKey is XPOXIENTTZMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4/c7-1-4-3-10-6(9)5(4)2-8/h3,10H,9H2.
What are the key properties of 2-amino-1H-pyrrole-3,4-dicarbonitrile?
2-amino-1H-pyrrole-3,4-dicarbonitrile has a molecular weight of 132.13 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-pyrrole-3,4-dicarbonitrile is sourced from PubChem (CID 11819114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).