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

C16H26N4O2 — CID 75468562

IUPAC1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
SMILESCC(C)c1nnc2n1CC(NC(=O)C1(O)CCCCC1)CC2
InChIInChI=1S/C16H26N4O2/c1-11(2)14-19-18-13-7-6-12(10-20(13)14)17-15(21)16(22)8-4-3-5-9-16/h11-12,22H,3-10H2,1-2H3,(H,17,21)
InChIKeyRCMQQGRNWBLKSU-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.53
Rot. Bonds3

About 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

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 (PubChem CID 75468562) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
PubChem CID75468562
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
SMILESCC(C)c1nnc2n1CC(NC(=O)C1(O)CCCCC1)CC2
InChIInChI=1S/C16H26N4O2/c1-11(2)14-19-18-13-7-6-12(10-20(13)14)17-15(21)16(22)8-4-3-5-9-16/h11-12,22H,3-10H2,1-2H3,(H,17,21)
InChIKeyRCMQQGRNWBLKSU-UHFFFAOYSA-N
XLogP1.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nnc2n1CC(NC(=O)C1(O)CCCCC1)CC2.
What is the InChIKey of 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?
The InChIKey is RCMQQGRNWBLKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)14-19-18-13-7-6-12(10-20(13)14)17-15(21)16(22)8-4-3-5-9-16/h11-12,22H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 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?
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 has a molecular weight of 306.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 75468562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).