2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide

C9H17N5O — CID 62116961

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1nncn1C
InChIInChI=1S/C9H17N5O/c1-7(2)12-9(15)5-10-4-8-13-11-6-14(8)3/h6-7,10H,4-5H2,1-3H3,(H,12,15)
InChIKeyHEUHQJLFTJRSPS-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.57
Rot. Bonds5

About 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide

2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 62116961) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID62116961
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1nncn1C
InChIInChI=1S/C9H17N5O/c1-7(2)12-9(15)5-10-4-8-13-11-6-14(8)3/h6-7,10H,4-5H2,1-3H3,(H,12,15)
InChIKeyHEUHQJLFTJRSPS-UHFFFAOYSA-N
XLogP-0.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-oxobutanamide
CID 61004110
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylguanidine
CID 119129786
2-methylidene-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 66044024
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 62119252
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 62118270
(2R)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79010182
(2S)-3-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 55038019
6-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-oxohexanoic acid
CID 54895602
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide (CID 62116961) is 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1nncn1C.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is HEUHQJLFTJRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(2)12-9(15)5-10-4-8-13-11-6-14(8)3/h6-7,10H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 211.27 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62116961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).