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

C11H13ClN6O — CID 62862677

IUPAC[1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H13ClN6O/c12-9-14-10(17-5-1-3-8(17)7-19)16-11(15-9)18-6-2-4-13-18/h2,4,6,8,19H,1,3,5,7H2
InChIKeyJLWHIDUNAYXJHC-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.67
Rot. Bonds3

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

[1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 62862677) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID62862677
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name[1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H13ClN6O/c12-9-14-10(17-5-1-3-8(17)7-19)16-11(15-9)18-6-2-4-13-18/h2,4,6,8,19H,1,3,5,7H2
InChIKeyJLWHIDUNAYXJHC-UHFFFAOYSA-N
XLogP0.67
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol (CID 62862677) is [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is JLWHIDUNAYXJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c12-9-14-10(17-5-1-3-8(17)7-19)16-11(15-9)18-6-2-4-13-18/h2,4,6,8,19H,1,3,5,7H2.
What are the key properties of [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol?
[1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 280.72 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62862677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).