4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H17ClN6 — CID 63830003

IUPAC4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1(CNc2nc(Cl)nc(-n3cccn3)n2)CCCC1
InChIInChI=1S/C13H17ClN6/c1-13(5-2-3-6-13)9-15-11-17-10(14)18-12(19-11)20-8-4-7-16-20/h4,7-8H,2-3,5-6,9H2,1H3,(H,15,17,18,19)
InChIKeyDLIXOKIBUREUTC-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.70
Rot. Bonds4

About 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 63830003) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID63830003
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1(CNc2nc(Cl)nc(-n3cccn3)n2)CCCC1
InChIInChI=1S/C13H17ClN6/c1-13(5-2-3-6-13)9-15-11-17-10(14)18-12(19-11)20-8-4-7-16-20/h4,7-8H,2-3,5-6,9H2,1H3,(H,15,17,18,19)
InChIKeyDLIXOKIBUREUTC-UHFFFAOYSA-N
XLogP2.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 63830003) is 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC1(CNc2nc(Cl)nc(-n3cccn3)n2)CCCC1.
What is the InChIKey of 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DLIXOKIBUREUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-13(5-2-3-6-13)9-15-11-17-10(14)18-12(19-11)20-8-4-7-16-20/h4,7-8H,2-3,5-6,9H2,1H3,(H,15,17,18,19).
What are the key properties of 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63830003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).