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

C9H11ClN6O — CID 62865075

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C9H11ClN6O/c1-6(5-17)12-8-13-7(10)14-9(15-8)16-4-2-3-11-16/h2-4,6,17H,5H2,1H3,(H,12,13,14,15)
InChIKeyUBNPBVBPVOQQQR-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.50
Rot. Bonds4

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 62865075) has the molecular formula C9H11ClN6O and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID62865075
Molecular FormulaC9H11ClN6O
Molecular Weight254.68 g/mol
Exact Mass254.07
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C9H11ClN6O/c1-6(5-17)12-8-13-7(10)14-9(15-8)16-4-2-3-11-16/h2-4,6,17H,5H2,1H3,(H,12,13,14,15)
InChIKeyUBNPBVBPVOQQQR-UHFFFAOYSA-N
XLogP0.50
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.50
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]propan-1-ol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 62865075) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol is CC(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]propan-1-ol?
The InChIKey is UBNPBVBPVOQQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6O/c1-6(5-17)12-8-13-7(10)14-9(15-8)16-4-2-3-11-16/h2-4,6,17H,5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 254.68 g/mol, XLogP of 0.50, 4 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]propan-1-ol is sourced from PubChem (CID 62865075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).