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

C11H14ClN7O — CID 106279537

IUPAC3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(Cl)nc(-n2cccn2)n1)C(N)=O
InChIInChI=1S/C11H14ClN7O/c1-11(2,7(13)20)6-14-9-16-8(12)17-10(18-9)19-5-3-4-15-19/h3-5H,6H2,1-2H3,(H2,13,20)(H,14,16,17,18)
InChIKeyJIIXIIXCFWYPAT-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.63
Rot. Bonds5

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

3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106279537) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
PubChem CID106279537
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc(Cl)nc(-n2cccn2)n1)C(N)=O
InChIInChI=1S/C11H14ClN7O/c1-11(2,7(13)20)6-14-9-16-8(12)17-10(18-9)19-5-3-4-15-19/h3-5H,6H2,1-2H3,(H2,13,20)(H,14,16,17,18)
InChIKeyJIIXIIXCFWYPAT-UHFFFAOYSA-N
XLogP0.63
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
CID 62863526
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
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
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
CID 106311250

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide (CID 106279537) is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc(Cl)nc(-n2cccn2)n1)C(N)=O.
What is the InChIKey of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is JIIXIIXCFWYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-11(2,7(13)20)6-14-9-16-8(12)17-10(18-9)19-5-3-4-15-19/h3-5H,6H2,1-2H3,(H2,13,20)(H,14,16,17,18).
What are the key properties of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide?
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 295.73 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106279537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).