N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

C11H20N4O2 — CID 107202215

IUPACN-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)CCCCCO)n1cncn1
InChIInChI=1S/C11H20N4O2/c1-10(15-9-12-8-13-15)11(17)14(2)6-4-3-5-7-16/h8-10,16H,3-7H2,1-2H3
InChIKeyBIFGBDJPFLRLNJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.46
Rot. Bonds7

About N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide

N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 107202215) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID107202215
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)CCCCCO)n1cncn1
InChIInChI=1S/C11H20N4O2/c1-10(15-9-12-8-13-15)11(17)14(2)6-4-3-5-7-16/h8-10,16H,3-7H2,1-2H3
InChIKeyBIFGBDJPFLRLNJ-UHFFFAOYSA-N
XLogP0.46
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 47070429
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
(E,4R)-1-(dimethylamino)-4-(1,2,4-triazol-1-yl)pent-1-en-3-one
CID 1486549
(3S)-3-(1,2,4-triazol-1-yl)butan-2-one
CID 1486533
2-(1,2,4-triazol-1-yl)propanoic acid
CID 16785201
N-ethyl-N-prop-2-ynyl-2-(1,2,4-triazol-1-yl)propanamide
CID 78957977
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
N-[(2-bromo-5-fluorophenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 122146678
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422
(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 94042520

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 107202215) is N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(C)CCCCCO)n1cncn1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BIFGBDJPFLRLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-10(15-9-12-8-13-15)11(17)14(2)6-4-3-5-7-16/h8-10,16H,3-7H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 107202215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).