N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C13H14N6O2 — CID 63940029

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H14N6O2/c1-17(8-10-14-5-6-15-10)12(20)9-19-13(21)18-7-3-2-4-11(18)16-19/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyLKEVVDDJQWOJJP-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.12
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 63940029) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID63940029
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C13H14N6O2/c1-17(8-10-14-5-6-15-10)12(20)9-19-13(21)18-7-3-2-4-11(18)16-19/h2-7H,8-9H2,1H3,(H,14,15)
InChIKeyLKEVVDDJQWOJJP-UHFFFAOYSA-N
XLogP-0.12
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
CID 43132370
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 86979795
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115649624
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 63939068
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
CID 62012002
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134059726
2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 119202580
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 63929126

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 63940029) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CN(Cc1ncc[nH]1)C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is LKEVVDDJQWOJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-17(8-10-14-5-6-15-10)12(20)9-19-13(21)18-7-3-2-4-11(18)16-19/h2-7H,8-9H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 286.30 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 63940029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).