2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C11H14N6O2 — CID 62989300

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2cnc(N)n2)ccn1
InChIInChI=1S/C11H14N6O2/c1-19-10-4-8(2-3-13-10)5-14-9(18)6-17-7-15-11(12)16-17/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,14,18)
InChIKeyMTRAJUBKXUINFP-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.42
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 62989300) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID62989300
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2cnc(N)n2)ccn1
InChIInChI=1S/C11H14N6O2/c1-19-10-4-8(2-3-13-10)5-14-9(18)6-17-7-15-11(12)16-17/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,14,18)
InChIKeyMTRAJUBKXUINFP-UHFFFAOYSA-N
XLogP-0.42
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18155594
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 62989300) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is COc1cc(CNC(=O)Cn2cnc(N)n2)ccn1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is MTRAJUBKXUINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-19-10-4-8(2-3-13-10)5-14-9(18)6-17-7-15-11(12)16-17/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,14,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 262.27 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 62989300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).