2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide

C10H13ClN8O — CID 62864218

IUPAC2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H13ClN8O/c1-6(2)15-7(20)3-13-9-16-8(11)17-10(18-9)19-5-12-4-14-19/h4-6H,3H2,1-2H3,(H,15,20)(H,13,16,17,18)
InChIKeyFVTYSWMXDLXNQF-UHFFFAOYSA-N
MW296.72 g/mol
LogP0.04
Rot. Bonds5

About 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide

2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide (PubChem CID 62864218) has the molecular formula C10H13ClN8O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
PubChem CID62864218
Molecular FormulaC10H13ClN8O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C10H13ClN8O/c1-6(2)15-7(20)3-13-9-16-8(11)17-10(18-9)19-5-12-4-14-19/h4-6H,3H2,1-2H3,(H,15,20)(H,13,16,17,18)
InChIKeyFVTYSWMXDLXNQF-UHFFFAOYSA-N
XLogP0.04
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide 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

4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195533
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 62863952
4-chloro-N-(2-methylsulfanylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113466848
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79247433
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106346838
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 62863509
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 105419837
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 62864023
4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 113313366

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide (CID 62864218) is 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is FVTYSWMXDLXNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN8O/c1-6(2)15-7(20)3-13-9-16-8(11)17-10(18-9)19-5-12-4-14-19/h4-6H,3H2,1-2H3,(H,15,20)(H,13,16,17,18).
What are the key properties of 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide?
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 296.72 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62864218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).