4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine

C14H15ClN4 — CID 63868356

IUPAC4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C14H15ClN4/c15-11-7-5-10(6-8-11)13-17-12(18-14(16)19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,16,17,18,19)
InChIKeyNIPUGVQNHCSXQQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.43
Rot. Bonds2

About 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine

4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine (PubChem CID 63868356) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine
PubChem CID63868356
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(Cl)cc2)nc(C2CCCC2)n1
InChIInChI=1S/C14H15ClN4/c15-11-7-5-10(6-8-11)13-17-12(18-14(16)19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,16,17,18,19)
InChIKeyNIPUGVQNHCSXQQ-UHFFFAOYSA-N
XLogP3.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine (CID 63868356) is 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine is Nc1nc(-c2ccc(Cl)cc2)nc(C2CCCC2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine?
The InChIKey is NIPUGVQNHCSXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-11-7-5-10(6-8-11)13-17-12(18-14(16)19-13)9-3-1-2-4-9/h5-9H,1-4H2,(H2,16,17,18,19).
What are the key properties of 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine has a molecular weight of 274.75 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-cyclopentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).