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

C12H15ClN6O — CID 62862622

IUPAC4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOC1CCCC1Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c1-20-9-5-2-4-8(9)15-11-16-10(13)17-12(18-11)19-7-3-6-14-19/h3,6-9H,2,4-5H2,1H3,(H,15,16,17,18)
InChIKeyADKSDMRJFKSBJK-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.69
Rot. Bonds4

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

4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62862622) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62862622
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOC1CCCC1Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c1-20-9-5-2-4-8(9)15-11-16-10(13)17-12(18-11)19-7-3-6-14-19/h3,6-9H,2,4-5H2,1H3,(H,15,16,17,18)
InChIKeyADKSDMRJFKSBJK-UHFFFAOYSA-N
XLogP1.69
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62862622) is 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is COC1CCCC1Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ADKSDMRJFKSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-20-9-5-2-4-8(9)15-11-16-10(13)17-12(18-11)19-7-3-6-14-19/h3,6-9H,2,4-5H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxycyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).