2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

C9H12N4 — CID 139291458

IUPAC2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC1CCn2c(nc(N)c2C#N)C1
InChIInChI=1S/C9H12N4/c1-6-2-3-13-7(5-10)9(11)12-8(13)4-6/h6H,2-4,11H2,1H3
InChIKeyIPEDRKFMTBTIMN-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.92
Rot. Bonds

About 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile

2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 139291458) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID139291458
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC1CCn2c(nc(N)c2C#N)C1
InChIInChI=1S/C9H12N4/c1-6-2-3-13-7(5-10)9(11)12-8(13)4-6/h6H,2-4,11H2,1H3
InChIKeyIPEDRKFMTBTIMN-UHFFFAOYSA-N
XLogP0.92
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile (CID 139291458) is 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is CC1CCn2c(nc(N)c2C#N)C1.
What is the InChIKey of 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is IPEDRKFMTBTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-2-3-13-7(5-10)9(11)12-8(13)4-6/h6H,2-4,11H2,1H3.
What are the key properties of 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile?
2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 139291458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).