2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C16H24N6O — CID 91909456

IUPAC2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCC(C)C(=O)N1CCc2c(c(-c3nncn3C(C)C)nn2C)C1
InChIInChI=1S/C16H24N6O/c1-10(2)16(23)21-7-6-13-12(8-21)14(19-20(13)5)15-18-17-9-22(15)11(3)4/h9-11H,6-8H2,1-5H3
InChIKeyMUXVNCRXGDIPOL-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 91909456) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID91909456
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCC(C)C(=O)N1CCc2c(c(-c3nncn3C(C)C)nn2C)C1
InChIInChI=1S/C16H24N6O/c1-10(2)16(23)21-7-6-13-12(8-21)14(19-20(13)5)15-18-17-9-22(15)11(3)4/h9-11H,6-8H2,1-5H3
InChIKeyMUXVNCRXGDIPOL-UHFFFAOYSA-N
XLogP1.80
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one with MolForge

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Related Compounds

9-cyclopentyl-5,6-dihydro-7-ethyl-3-(tert-butyl)-9H-pyrazolo-[3,4-c]-1,2,4-triazolo[4,3-alpha]pyridine
CID 9810934
5,12-Dicyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9858486
12-Cyclopentyl-10-ethyl-5-propyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9944133
12-Cyclopentyl-10-ethyl-5-(1-methylcyclohexyl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10269508
12-Cyclopentyl-10-ethyl-5-methyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103076
12-Cyclopentyl-5,10-diethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103077
5-Butyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103078
12-Cyclopentyl-10-ethyl-5-(oxan-4-yl)-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103079
5-Cyclobutyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103086
5-Cyclohexyl-12-cyclopentyl-10-ethyl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103087
12-Cyclopentyl-10-ethyl-5-pentan-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 16103088
3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-piperidin-1-ylpropan-1-one
CID 6622328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 91909456) is 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CC(C)C(=O)N1CCc2c(c(-c3nncn3C(C)C)nn2C)C1.
What is the InChIKey of 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is MUXVNCRXGDIPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-10(2)16(23)21-7-6-13-12(8-21)14(19-20(13)5)15-18-17-9-22(15)11(3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 316.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 91909456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).