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

C11H13ClN6O — CID 55171989

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1nc(Cl)nc(-n2cccn2)n1)C1CC1
InChIInChI=1S/C11H13ClN6O/c12-9-15-10(13-6-8(19)7-2-3-7)17-11(16-9)18-5-1-4-14-18/h1,4-5,7-8,19H,2-3,6H2,(H,13,15,16,17)
InChIKeyMWYLYVURMBWFEB-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.89
Rot. Bonds5

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol (PubChem CID 55171989) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
PubChem CID55171989
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
SMILESOC(CNc1nc(Cl)nc(-n2cccn2)n1)C1CC1
InChIInChI=1S/C11H13ClN6O/c12-9-15-10(13-6-8(19)7-2-3-7)17-11(16-9)18-5-1-4-14-18/h1,4-5,7-8,19H,2-3,6H2,(H,13,15,16,17)
InChIKeyMWYLYVURMBWFEB-UHFFFAOYSA-N
XLogP0.89
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol (CID 55171989) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol is OC(CNc1nc(Cl)nc(-n2cccn2)n1)C1CC1.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
The InChIKey is MWYLYVURMBWFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c12-9-15-10(13-6-8(19)7-2-3-7)17-11(16-9)18-5-1-4-14-18/h1,4-5,7-8,19H,2-3,6H2,(H,13,15,16,17).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol has a molecular weight of 280.72 g/mol, XLogP of 0.89, 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]-1-cyclopropylethanol is sourced from PubChem (CID 55171989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).