2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide

C9H17N5O2 — CID 62984459

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O2/c1-13(4-3-5-16-2)8(15)6-14-7-11-9(10)12-14/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeyPNOZFXBJRRBKLJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.64
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide (PubChem CID 62984459) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide
PubChem CID62984459
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O2/c1-13(4-3-5-16-2)8(15)6-14-7-11-9(10)12-14/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeyPNOZFXBJRRBKLJ-UHFFFAOYSA-N
XLogP-0.64
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-methylamino]butanoate
CID 61107923
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 61109512
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 62113912
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63698397
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 61108177
[2-(dimethylamino)-2-oxoethyl] 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61316451
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide
CID 61016829
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 61113902
N-(2-methoxyethyl)-N-methyl-2-pyrazol-1-ylacetamide
CID 91211379
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 54994700
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222106

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide (CID 62984459) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide is COCCCN(C)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide?
The InChIKey is PNOZFXBJRRBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-13(4-3-5-16-2)8(15)6-14-7-11-9(10)12-14/h7H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide has a molecular weight of 227.27 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 62984459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).