2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile

C7H9N3 — CID 2756391

IUPAC2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(N)c(C#N)c1C
InChIInChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3
InChIKeyQZVLATXNNPVXEJ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.09
Rot. Bonds

About 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile

2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile (PubChem CID 2756391) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
PubChem CID2756391
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(N)c(C#N)c1C
InChIInChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3
InChIKeyQZVLATXNNPVXEJ-UHFFFAOYSA-N
XLogP1.09
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile (CID 2756391) is 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile is Cc1[nH]c(N)c(C#N)c1C.
What is the InChIKey of 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
The InChIKey is QZVLATXNNPVXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile?
2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 2756391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).