4-amino-1H-pyrrole-3-carbonitrile

C5H5N3 — CID 15021647

IUPAC4-amino-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]cc1N
InChIInChI=1S/C5H5N3/c6-1-4-2-8-3-5(4)7/h2-3,8H,7H2
InChIKeyAXJHCHWDKIMBOE-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.47
Rot. Bonds

About 4-amino-1H-pyrrole-3-carbonitrile

4-amino-1H-pyrrole-3-carbonitrile (PubChem CID 15021647) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 4-amino-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1H-pyrrole-3-carbonitrile
PubChem CID15021647
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name4-amino-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]cc1N
InChIInChI=1S/C5H5N3/c6-1-4-2-8-3-5(4)7/h2-3,8H,7H2
InChIKeyAXJHCHWDKIMBOE-UHFFFAOYSA-N
XLogP0.47
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4-amino-1H-pyrrole-3-carbonitrile (CID 15021647) is 4-amino-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4-amino-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4-amino-1H-pyrrole-3-carbonitrile is N#Cc1c[nH]cc1N.
What is the InChIKey of 4-amino-1H-pyrrole-3-carbonitrile?
The InChIKey is AXJHCHWDKIMBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c6-1-4-2-8-3-5(4)7/h2-3,8H,7H2.
What are the key properties of 4-amino-1H-pyrrole-3-carbonitrile?
4-amino-1H-pyrrole-3-carbonitrile has a molecular weight of 107.12 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15021647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).