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

C11H14ClN7O — CID 62863526

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H14ClN7O/c1-2-4-13-8(20)7-14-10-16-9(12)17-11(18-10)19-6-3-5-15-19/h3,5-6H,2,4,7H2,1H3,(H,13,20)(H,14,16,17,18)
InChIKeyZJKQXZFVKUKGLL-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.65
Rot. Bonds6

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide (PubChem CID 62863526) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
PubChem CID62863526
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H14ClN7O/c1-2-4-13-8(20)7-14-10-16-9(12)17-11(18-10)19-6-3-5-15-19/h3,5-6H,2,4,7H2,1H3,(H,13,20)(H,14,16,17,18)
InChIKeyZJKQXZFVKUKGLL-UHFFFAOYSA-N
XLogP0.65
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide (CID 62863526) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide is CCCNC(=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-propylacetamide?
The InChIKey is ZJKQXZFVKUKGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-2-4-13-8(20)7-14-10-16-9(12)17-11(18-10)19-6-3-5-15-19/h3,5-6H,2,4,7H2,1H3,(H,13,20)(H,14,16,17,18).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide has a molecular weight of 295.73 g/mol, XLogP of 0.65, 6 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-propylacetamide is sourced from PubChem (CID 62863526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).