3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide

C16H24N6O — CID 95144835

IUPAC3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
SMILESCC(C)c1nnc2n1C[C@H](NC(=O)CCc1cnn(C)c1)CC2
InChIInChI=1S/C16H24N6O/c1-11(2)16-20-19-14-6-5-13(10-22(14)16)18-15(23)7-4-12-8-17-21(3)9-12/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyLIHURVJSSUZRAC-CYBMUJFWSA-N
MW316.41 g/mol
LogP1.20
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide

3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide (PubChem CID 95144835) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
PubChem CID95144835
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
SMILESCC(C)c1nnc2n1C[C@H](NC(=O)CCc1cnn(C)c1)CC2
InChIInChI=1S/C16H24N6O/c1-11(2)16-20-19-14-6-5-13(10-22(14)16)18-15(23)7-4-12-8-17-21(3)9-12/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyLIHURVJSSUZRAC-CYBMUJFWSA-N
XLogP1.20
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 75473933
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
2-(2-methyl-1,3-thiazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95137616
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97344451
3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
CID 75470231
N-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772258
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562
N-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-thiophen-3-ylpropanamide
CID 86772386
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 124726107

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide (CID 95144835) is 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide is CC(C)c1nnc2n1C[C@H](NC(=O)CCc1cnn(C)c1)CC2.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
The InChIKey is LIHURVJSSUZRAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11(2)16-20-19-14-6-5-13(10-22(14)16)18-15(23)7-4-12-8-17-21(3)9-12/h8-9,11,13H,4-7,10H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide is sourced from PubChem (CID 95144835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).