2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile

C12H17N3 — CID 116836798

IUPAC2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile
SMILESCCCc1nc(CC#N)c2n1CCCC2
InChIInChI=1S/C12H17N3/c1-2-5-12-14-10(7-8-13)11-6-3-4-9-15(11)12/h2-7,9H2,1H3
InChIKeyPFXKUZIDHZMOHP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile

2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile (PubChem CID 116836798) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile
PubChem CID116836798
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile
SMILESCCCc1nc(CC#N)c2n1CCCC2
InChIInChI=1S/C12H17N3/c1-2-5-12-14-10(7-8-13)11-6-3-4-9-15(11)12/h2-7,9H2,1H3
InChIKeyPFXKUZIDHZMOHP-UHFFFAOYSA-N
XLogP2.24
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984333
[3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanol
CID 116984469
3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
1-(bromomethyl)-8-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 112552895
1-propyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 658267
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984197
3-(3-oxobutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984242
(5-methyl-3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552614
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
3-ethyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552271

Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile?
The IUPAC name of 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile (CID 116836798) is 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile is CCCc1nc(CC#N)c2n1CCCC2.
What is the InChIKey of 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile?
The InChIKey is PFXKUZIDHZMOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-5-12-14-10(7-8-13)11-6-3-4-9-15(11)12/h2-7,9H2,1H3.
What are the key properties of 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile?
2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile is sourced from PubChem (CID 116836798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).