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

C12H15ClN6 — CID 64688069

IUPAC4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1(Nc2nc(Cl)nc(-n3cccn3)n2)CCCC1
InChIInChI=1S/C12H15ClN6/c1-12(5-2-3-6-12)18-10-15-9(13)16-11(17-10)19-8-4-7-14-19/h4,7-8H,2-3,5-6H2,1H3,(H,15,16,17,18)
InChIKeyQYWDTPCYHOLKMK-UHFFFAOYSA-N
MW278.75 g/mol
LogP2.46
Rot. Bonds3

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

4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 64688069) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID64688069
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1(Nc2nc(Cl)nc(-n3cccn3)n2)CCCC1
InChIInChI=1S/C12H15ClN6/c1-12(5-2-3-6-12)18-10-15-9(13)16-11(17-10)19-8-4-7-14-19/h4,7-8H,2-3,5-6H2,1H3,(H,15,16,17,18)
InChIKeyQYWDTPCYHOLKMK-UHFFFAOYSA-N
XLogP2.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 52.46
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)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 64688069) is 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC1(Nc2nc(Cl)nc(-n3cccn3)n2)CCCC1.
What is the InChIKey of 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QYWDTPCYHOLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-12(5-2-3-6-12)18-10-15-9(13)16-11(17-10)19-8-4-7-14-19/h4,7-8H,2-3,5-6H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(1-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 278.75 g/mol, XLogP of 2.46, 3 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)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 64688069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).