N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide

C12H20N4O2 — CID 62401094

IUPACN-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)n1cc(CO)nn1
InChIInChI=1S/C12H20N4O2/c1-9(16-7-11(8-17)14-15-16)12(18)13-10-5-3-2-4-6-10/h7,9-10,17H,2-6,8H2,1H3,(H,13,18)
InChIKeyZOTVTLJHZWISIY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.78
Rot. Bonds4

About N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide

N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide (PubChem CID 62401094) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
PubChem CID62401094
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
SMILESCC(C(=O)NC1CCCCC1)n1cc(CO)nn1
InChIInChI=1S/C12H20N4O2/c1-9(16-7-11(8-17)14-15-16)12(18)13-10-5-3-2-4-6-10/h7,9-10,17H,2-6,8H2,1H3,(H,13,18)
InChIKeyZOTVTLJHZWISIY-UHFFFAOYSA-N
XLogP0.78
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194152
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
N-cyclopropyl-2-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444580
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 62399963
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
methyl 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]triazole-4-carboxylate
CID 103107694
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
CID 81495464
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
CID 124507498

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide (CID 62401094) is N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide is CC(C(=O)NC1CCCCC1)n1cc(CO)nn1.
What is the InChIKey of N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide?
The InChIKey is ZOTVTLJHZWISIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(16-7-11(8-17)14-15-16)12(18)13-10-5-3-2-4-6-10/h7,9-10,17H,2-6,8H2,1H3,(H,13,18).
What are the key properties of N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide?
N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 62401094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).