4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C11H15ClN6O — CID 55124960

IUPAC4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOCC(C)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-8(7-19-2)6-13-10-15-9(12)16-11(17-10)18-5-3-4-14-18/h3-5,8H,6-7H2,1-2H3,(H,13,15,16,17)
InChIKeyNJZSOQLZJBFILQ-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.41
Rot. Bonds6

About 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 55124960) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID55124960
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOCC(C)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H15ClN6O/c1-8(7-19-2)6-13-10-15-9(12)16-11(17-10)18-5-3-4-14-18/h3-5,8H,6-7H2,1-2H3,(H,13,15,16,17)
InChIKeyNJZSOQLZJBFILQ-UHFFFAOYSA-N
XLogP1.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 55124960) is 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is COCC(C)CNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is NJZSOQLZJBFILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-8(7-19-2)6-13-10-15-9(12)16-11(17-10)18-5-3-4-14-18/h3-5,8H,6-7H2,1-2H3,(H,13,15,16,17).
What are the key properties of 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 282.73 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).