3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

C12H16N4 — CID 116984314

IUPAC3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C2CCNC2)n2c1CCCC2
InChIInChI=1S/C12H16N4/c13-7-10-11-3-1-2-6-16(11)12(15-10)9-4-5-14-8-9/h9,14H,1-6,8H2
InChIKeyVTQMBTXTBYCUEJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.17
Rot. Bonds1

About 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116984314) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116984314
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C2CCNC2)n2c1CCCC2
InChIInChI=1S/C12H16N4/c13-7-10-11-3-1-2-6-16(11)12(15-10)9-4-5-14-8-9/h9,14H,1-6,8H2
InChIKeyVTQMBTXTBYCUEJ-UHFFFAOYSA-N
XLogP1.17
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116836729
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-pyrrolidin-3-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
CID 84664289
1-bromo-7-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117248968
1-chloro-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117249610
2-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82604310
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984310
1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247485
8-bromo-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carbonitrile
CID 84744209
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
CID 116984397

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (CID 116984314) is 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(C2CCNC2)n2c1CCCC2.
What is the InChIKey of 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is VTQMBTXTBYCUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-7-10-11-3-1-2-6-16(11)12(15-10)9-4-5-14-8-9/h9,14H,1-6,8H2.
What are the key properties of 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116984314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).