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

C6H11N5O — CID 82412851

IUPAC2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnc(CNC(=O)CN)n1
InChIInChI=1S/C6H11N5O/c1-11-4-9-5(10-11)3-8-6(12)2-7/h4H,2-3,7H2,1H3,(H,8,12)
InChIKeyLCQYYGKERXVXOP-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.61
Rot. Bonds3

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

2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 82412851) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID82412851
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCn1cnc(CNC(=O)CN)n1
InChIInChI=1S/C6H11N5O/c1-11-4-9-5(10-11)3-8-6(12)2-7/h4H,2-3,7H2,1H3,(H,8,12)
InChIKeyLCQYYGKERXVXOP-UHFFFAOYSA-N
XLogP-1.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884853
(E)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]but-2-enamide
CID 103886026
1-tert-butyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103882156
1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103885543
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 103883571
1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103882141
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 103951204
2,2-dimethyl-3-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114124827
(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 114125272
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
2-(2-cyanophenoxy)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103883525
2-cyano-2-ethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butanamide
CID 114125429

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 82412851) is 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide is Cn1cnc(CNC(=O)CN)n1.
What is the InChIKey of 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is LCQYYGKERXVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-11-4-9-5(10-11)3-8-6(12)2-7/h4H,2-3,7H2,1H3,(H,8,12).
What are the key properties of 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 169.19 g/mol, XLogP of -1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 82412851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).