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

C11H15ClN6O — CID 64551799

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-3-11(2,7-19)17-9-14-8(12)15-10(16-9)18-6-4-5-13-18/h4-6,19H,3,7H2,1-2H3,(H,14,15,16,17)
InChIKeyWRIWSRSQUIWVLW-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.28
Rot. Bonds5

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 64551799) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
PubChem CID64551799
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-3-11(2,7-19)17-9-14-8(12)15-10(16-9)18-6-4-5-13-18/h4-6,19H,3,7H2,1-2H3,(H,14,15,16,17)
InChIKeyWRIWSRSQUIWVLW-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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]-2-methylbutan-1-ol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol (CID 64551799) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is WRIWSRSQUIWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-3-11(2,7-19)17-9-14-8(12)15-10(16-9)18-6-4-5-13-18/h4-6,19H,3,7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 282.73 g/mol, XLogP of 1.28, 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]-2-methylbutan-1-ol is sourced from PubChem (CID 64551799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).