1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide

C11H14ClN7O — CID 64780614

IUPAC1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nc(Cl)nc(N(C)C)n2)n1
InChIInChI=1S/C11H14ClN7O/c1-17(2)8(20)7-5-6-19(16-7)11-14-9(12)13-10(15-11)18(3)4/h5-6H,1-4H3
InChIKeyXTTWGOTYERSSGQ-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.48
Rot. Bonds3

About 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide

1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64780614) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64780614
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2nc(Cl)nc(N(C)C)n2)n1
InChIInChI=1S/C11H14ClN7O/c1-17(2)8(20)7-5-6-19(16-7)11-14-9(12)13-10(15-11)18(3)4/h5-6H,1-4H3
InChIKeyXTTWGOTYERSSGQ-UHFFFAOYSA-N
XLogP0.48
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide (CID 64780614) is 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2nc(Cl)nc(N(C)C)n2)n1.
What is the InChIKey of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is XTTWGOTYERSSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-17(2)8(20)7-5-6-19(16-7)11-14-9(12)13-10(15-11)18(3)4/h5-6H,1-4H3.
What are the key properties of 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide?
1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64780614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).