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

C9H17N5O2 — CID 61110637

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
SMILESCOCC(C)N(C)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O2/c1-7(5-16-3)13(2)8(15)4-14-6-11-9(10)12-14/h6-7H,4-5H2,1-3H3,(H2,10,12)
InChIKeyLVVHNNANNZUEBA-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.65
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide (PubChem CID 61110637) 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-(1-methoxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
PubChem CID61110637
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
SMILESCOCC(C)N(C)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H17N5O2/c1-7(5-16-3)13(2)8(15)4-14-6-11-9(10)12-14/h6-7H,4-5H2,1-3H3,(H2,10,12)
InChIKeyLVVHNNANNZUEBA-UHFFFAOYSA-N
XLogP-0.65
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 51076698
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
N-butan-2-yl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetamide
CID 47839833
N-(2-methoxyethyl)-N-pentan-3-yl-2-(tetrazol-1-yl)acetamide
CID 52223081
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 94020930
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 55133784
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 61109249
N-(2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518144
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(1,2,4-triazol-1-yl)propyl]acetamide
CID 110225961
N-(3-morpholinopropyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3705407
N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 13036589

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide (CID 61110637) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide is COCC(C)N(C)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
The InChIKey is LVVHNNANNZUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-7(5-16-3)13(2)8(15)4-14-6-11-9(10)12-14/h6-7H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide has a molecular weight of 227.27 g/mol, XLogP of -0.65, 5 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-(1-methoxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 61110637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).