2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide

C12H22N4O2 — CID 81444584

IUPAC2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1cc(C(C)O)nn1
InChIInChI=1S/C12H22N4O2/c1-5-6-8(2)13-12(18)9(3)16-7-11(10(4)17)14-15-16/h7-10,17H,5-6H2,1-4H3,(H,13,18)
InChIKeyRZOSKHZKLFWCGT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.20
Rot. Bonds6

About 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide

2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide (PubChem CID 81444584) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide
PubChem CID81444584
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1cc(C(C)O)nn1
InChIInChI=1S/C12H22N4O2/c1-5-6-8(2)13-12(18)9(3)16-7-11(10(4)17)14-15-16/h7-10,17H,5-6H2,1-4H3,(H,13,18)
InChIKeyRZOSKHZKLFWCGT-UHFFFAOYSA-N
XLogP1.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]triazole-4-carboxylic acid
CID 55134228
2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]-N-methylpropanamide
CID 130567345
methyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]triazole-4-carboxylate
CID 103107543
N-cyclopropyl-2-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
CID 81444580
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 81444021
N-butan-2-yl-2-(4-formyltriazol-1-yl)propanamide
CID 66213981
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
CID 124596958
(2S)-2-[[(2S)-2-[4-[(1R)-1-amino-2-hydroxypropyl]triazol-1-yl]propanoyl]amino]-3-methylbutanoic acid
CID 132541029
2-[1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]triazol-4-yl]acetic acid
CID 107461608
2-amino-3-[1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]triazol-4-yl]propanoic acid
CID 116735197
2-[4-(1-aminobutyl)triazol-1-yl]-N,N-diethylpropanamide
CID 106228668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide (CID 81444584) is 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)n1cc(C(C)O)nn1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide?
The InChIKey is RZOSKHZKLFWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-6-8(2)13-12(18)9(3)16-7-11(10(4)17)14-15-16/h7-10,17H,5-6H2,1-4H3,(H,13,18).
What are the key properties of 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide?
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide has a molecular weight of 254.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)triazol-1-yl]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 81444584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).