3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

C13H16N4 — CID 116984416

IUPAC3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(C)C(C#N)c1nc(C#N)c2n1CCCC2
InChIInChI=1S/C13H16N4/c1-9(2)10(7-14)13-16-11(8-15)12-5-3-4-6-17(12)13/h9-10H,3-6H2,1-2H3
InChIKeyOZSXOYXKDVQJQH-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds2

About 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116984416) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116984416
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(C)C(C#N)c1nc(C#N)c2n1CCCC2
InChIInChI=1S/C13H16N4/c1-9(2)10(7-14)13-16-11(8-15)12-5-3-4-6-17(12)13/h9-10H,3-6H2,1-2H3
InChIKeyOZSXOYXKDVQJQH-UHFFFAOYSA-N
XLogP2.35
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116836729
3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984333
(E)-3-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)prop-2-enoic acid
CID 116984372
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
CID 116984397
3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984314
2-amino-1-(3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)ethanol
CID 83891326
3-[carboxy(methylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984284
3-methyl-2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)butanenitrile
CID 116983403

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (CID 116984416) is 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is CC(C)C(C#N)c1nc(C#N)c2n1CCCC2.
What is the InChIKey of 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is OZSXOYXKDVQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9(2)10(7-14)13-16-11(8-15)12-5-3-4-6-17(12)13/h9-10H,3-6H2,1-2H3.
What are the key properties of 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116984416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).