N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

C9H16N4O2 — CID 62334205

IUPACN-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(O)CN(C)C(=O)CCn1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(14)5-12(2)9(15)3-4-13-7-10-6-11-13/h6-8,14H,3-5H2,1-2H3
InChIKeyANEONBJQEADMLC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds5

About N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide

N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 62334205) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID62334205
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(O)CN(C)C(=O)CCn1cncn1
InChIInChI=1S/C9H16N4O2/c1-8(14)5-12(2)9(15)3-4-13-7-10-6-11-13/h6-8,14H,3-5H2,1-2H3
InChIKeyANEONBJQEADMLC-UHFFFAOYSA-N
XLogP-0.49
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119657366
2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 55148204
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 54913567
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
ethyl 2-[propan-2-yl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54896492
N-(4-hydroxyphenyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 28788947
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036565
N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]carbamoyl chloride
CID 131847612
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 70706449
N-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 95237231
methyl (2R)-2-[cyclobutyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]propanoate
CID 124841521
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 62334205) is N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is CC(O)CN(C)C(=O)CCn1cncn1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ANEONBJQEADMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-8(14)5-12(2)9(15)3-4-13-7-10-6-11-13/h6-8,14H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 62334205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).