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

C11H15ClN6O — CID 115361922

IUPAC3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-11(2,7-19)6-13-9-15-8(12)16-10(17-9)18-5-3-4-14-18/h3-5,19H,6-7H2,1-2H3,(H,13,15,16,17)
InChIKeyRECDPKFMEJXGTF-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.14
Rot. Bonds5

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

3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115361922) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115361922
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-11(2,7-19)6-13-9-15-8(12)16-10(17-9)18-5-3-4-14-18/h3-5,19H,6-7H2,1-2H3,(H,13,15,16,17)
InChIKeyRECDPKFMEJXGTF-UHFFFAOYSA-N
XLogP1.14
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537
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
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-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 114101578
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003

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-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol (CID 115361922) is 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is RECDPKFMEJXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-11(2,7-19)6-13-9-15-8(12)16-10(17-9)18-5-3-4-14-18/h3-5,19H,6-7H2,1-2H3,(H,13,15,16,17).
What are the key properties of 3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 282.73 g/mol, XLogP of 1.14, 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-dimethylpropan-1-ol is sourced from PubChem (CID 115361922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).