2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide

C12H21N5O2 — CID 112520071

IUPAC2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCC(C)CNC(=O)Cn1cc(NC(=O)C(C)C)nn1
InChIInChI=1S/C12H21N5O2/c1-8(2)5-13-11(18)7-17-6-10(15-16-17)14-12(19)9(3)4/h6,8-9H,5,7H2,1-4H3,(H,13,18)(H,14,19)
InChIKeyUCTYAXINGWXKGF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.64
Rot. Bonds6

About 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide

2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112520071) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112520071
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCC(C)CNC(=O)Cn1cc(NC(=O)C(C)C)nn1
InChIInChI=1S/C12H21N5O2/c1-8(2)5-13-11(18)7-17-6-10(15-16-17)14-12(19)9(3)4/h6,8-9H,5,7H2,1-4H3,(H,13,18)(H,14,19)
InChIKeyUCTYAXINGWXKGF-UHFFFAOYSA-N
XLogP0.64
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311
N-[1-[2-(azepan-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112530504
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112531418
N-[1-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525817
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
N-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide (CID 112520071) is 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide is CC(C)CNC(=O)Cn1cc(NC(=O)C(C)C)nn1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is UCTYAXINGWXKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)5-13-11(18)7-17-6-10(15-16-17)14-12(19)9(3)4/h6,8-9H,5,7H2,1-4H3,(H,13,18)(H,14,19).
What are the key properties of 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide?
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 267.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112520071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).