5-amino-1-methylpyrrole-3-carbonitrile

C6H7N3 — CID 10103164

IUPAC5-amino-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1N
InChIInChI=1S/C6H7N3/c1-9-4-5(3-7)2-6(9)8/h2,4H,8H2,1H3
InChIKeyOAZQYILEWTZDER-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.48
Rot. Bonds

About 5-amino-1-methylpyrrole-3-carbonitrile

5-amino-1-methylpyrrole-3-carbonitrile (PubChem CID 10103164) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 5-amino-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methylpyrrole-3-carbonitrile
PubChem CID10103164
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name5-amino-1-methylpyrrole-3-carbonitrile
SMILESCn1cc(C#N)cc1N
InChIInChI=1S/C6H7N3/c1-9-4-5(3-7)2-6(9)8/h2,4H,8H2,1H3
InChIKeyOAZQYILEWTZDER-UHFFFAOYSA-N
XLogP0.48
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 5-amino-1-methylpyrrole-3-carbonitrile (CID 10103164) is 5-amino-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 5-amino-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 5-amino-1-methylpyrrole-3-carbonitrile is Cn1cc(C#N)cc1N.
What is the InChIKey of 5-amino-1-methylpyrrole-3-carbonitrile?
The InChIKey is OAZQYILEWTZDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-9-4-5(3-7)2-6(9)8/h2,4H,8H2,1H3.
What are the key properties of 5-amino-1-methylpyrrole-3-carbonitrile?
5-amino-1-methylpyrrole-3-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 10103164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).