3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile

C9H8N4 — CID 131604204

IUPAC3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile
SMILESCc1nc2cccc(C#N)n2c1N
InChIInChI=1S/C9H8N4/c1-6-9(11)13-7(5-10)3-2-4-8(13)12-6/h2-4H,11H2,1H3
InChIKeyKHWFRDSQYOOQDZ-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.10
Rot. Bonds

About 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile

3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile (PubChem CID 131604204) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile
PubChem CID131604204
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile
SMILESCc1nc2cccc(C#N)n2c1N
InChIInChI=1S/C9H8N4/c1-6-9(11)13-7(5-10)3-2-4-8(13)12-6/h2-4H,11H2,1H3
InChIKeyKHWFRDSQYOOQDZ-UHFFFAOYSA-N
XLogP1.10
TPSA67.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile?
The IUPAC name of 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile (CID 131604204) is 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile is Cc1nc2cccc(C#N)n2c1N.
What is the InChIKey of 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile?
The InChIKey is KHWFRDSQYOOQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-6-9(11)13-7(5-10)3-2-4-8(13)12-6/h2-4H,11H2,1H3.
What are the key properties of 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile?
3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylimidazo[1,2-a]pyridine-5-carbonitrile is sourced from PubChem (CID 131604204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).