N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide

C13H22N4O2 — CID 54942539

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N(CCO)C1CCCCC1
InChIInChI=1S/C13H22N4O2/c18-9-8-17(12-4-2-1-3-5-12)13(19)6-7-16-11-14-10-15-16/h10-12,18H,1-9H2
InChIKeyMYEQCYTYHJNUEQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.82
Rot. Bonds6

About N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide

N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 54942539) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID54942539
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)N(CCO)C1CCCCC1
InChIInChI=1S/C13H22N4O2/c18-9-8-17(12-4-2-1-3-5-12)13(19)6-7-16-11-14-10-15-16/h10-12,18H,1-9H2
InChIKeyMYEQCYTYHJNUEQ-UHFFFAOYSA-N
XLogP0.82
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
methyl (2R)-2-[cyclobutyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]propanoate
CID 124841521
N-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethylamino]-2-oxoethyl]-N-cyclopentyl-3-(1,2,4-triazol-1-yl)propanamide
CID 166430025
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 43421122
2-[2-hydroxyethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethanol
CID 162384997
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylsulfonylpropanamide
CID 54942745
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 54942539) is N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is MYEQCYTYHJNUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-9-8-17(12-4-2-1-3-5-12)13(19)6-7-16-11-14-10-15-16/h10-12,18H,1-9H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 54942539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).