N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide

C17H29N5O — CID 99634698

IUPACN-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@H]2CCc3nc(C(C)C)nn3C2)CC1
InChIInChI=1S/C17H29N5O/c1-11(2)17-20-16-9-8-15(10-22(16)21-17)19-14-6-4-13(5-7-14)18-12(3)23/h11,13-15,19H,4-10H2,1-3H3,(H,18,23)/t13?,14?,15-/m0/s1
InChIKeyHYTAYWVTDSQEHO-NRXISQOPSA-N
MW319.45 g/mol
LogP1.75
Rot. Bonds4

About N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide

N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide (PubChem CID 99634698) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
PubChem CID99634698
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@H]2CCc3nc(C(C)C)nn3C2)CC1
InChIInChI=1S/C17H29N5O/c1-11(2)17-20-16-9-8-15(10-22(16)21-17)19-14-6-4-13(5-7-14)18-12(3)23/h11,13-15,19H,4-10H2,1-3H3,(H,18,23)/t13?,14?,15-/m0/s1
InChIKeyHYTAYWVTDSQEHO-NRXISQOPSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
CID 95340427
(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
CID 129399870
1-cyclobutyl-2-ethyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119154047
2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117154532
3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide
CID 128519257
1-ethyl-2-(2-ethylbutyl)-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 111995592
2-[[ethylamino-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041145
N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 91651140
5-(cyclopropylmethoxy)-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazine-2-carboxamide
CID 126812672
2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
CID 56780086
1-(2-ethylbutyl)-2-methyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 111995559
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide (CID 99634698) is N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(N[C@H]2CCc3nc(C(C)C)nn3C2)CC1.
What is the InChIKey of N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide?
The InChIKey is HYTAYWVTDSQEHO-NRXISQOPSA-N. The full InChI is InChI=1S/C17H29N5O/c1-11(2)17-20-16-9-8-15(10-22(16)21-17)19-14-6-4-13(5-7-14)18-12(3)23/h11,13-15,19H,4-10H2,1-3H3,(H,18,23)/t13?,14?,15-/m0/s1.
What are the key properties of N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide?
N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 99634698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).