2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide

C10H12ClN7O — CID 62863010

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H12ClN7O/c1-2-12-7(19)6-13-9-15-8(11)16-10(17-9)18-5-3-4-14-18/h3-5H,2,6H2,1H3,(H,12,19)(H,13,15,16,17)
InChIKeyCQPACDKUADVVKX-UHFFFAOYSA-N
MW281.71 g/mol
LogP0.26
Rot. Bonds5

About 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide (PubChem CID 62863010) has the molecular formula C10H12ClN7O and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
PubChem CID62863010
Molecular FormulaC10H12ClN7O
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C10H12ClN7O/c1-2-12-7(19)6-13-9-15-8(11)16-10(17-9)18-5-3-4-14-18/h3-5H,2,6H2,1H3,(H,12,19)(H,13,15,16,17)
InChIKeyCQPACDKUADVVKX-UHFFFAOYSA-N
XLogP0.26
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide 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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
CID 62863526
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863353
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80792547
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107866465

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide (CID 62863010) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
The InChIKey is CQPACDKUADVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O/c1-2-12-7(19)6-13-9-15-8(11)16-10(17-9)18-5-3-4-14-18/h3-5H,2,6H2,1H3,(H,12,19)(H,13,15,16,17).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide has a molecular weight of 281.71 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 62863010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).