3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

C12H18N4 — CID 116984310

IUPAC3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(C)NCc1nc(C#N)c2n1CCCC2
InChIInChI=1S/C12H18N4/c1-9(2)14-8-12-15-10(7-13)11-5-3-4-6-16(11)12/h9,14H,3-6,8H2,1-2H3
InChIKeyPJQZTQUPENUDPU-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.59
Rot. Bonds3

About 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile

3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 116984310) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID116984310
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(C)NCc1nc(C#N)c2n1CCCC2
InChIInChI=1S/C12H18N4/c1-9(2)14-8-12-15-10(7-13)11-5-3-4-6-16(11)12/h9,14H,3-6,8H2,1-2H3
InChIKeyPJQZTQUPENUDPU-UHFFFAOYSA-N
XLogP1.59
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984332
3-(2-chloroethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984333
3-(1-cyano-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984416
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984426
2-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 116984342
(E)-3-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)prop-2-enoic acid
CID 116984372
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-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile
CID 116984314
1-(1-cyano-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclobutane-1-carboxylic acid
CID 116984397
2-(3-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)acetonitrile
CID 116836798
3-(ethylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984197
1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
CID 84611501

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile (CID 116984310) is 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is CC(C)NCc1nc(C#N)c2n1CCCC2.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is PJQZTQUPENUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)14-8-12-15-10(7-13)11-5-3-4-6-16(11)12/h9,14H,3-6,8H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile?
3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 116984310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).