6-cyclopentyl-1,3,5-triazine-2,4-diamine

C8H13N5 — CID 22156012

IUPAC6-cyclopentyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C8H13N5/c9-7-11-6(12-8(10)13-7)5-3-1-2-4-5/h5H,1-4H2,(H4,9,10,11,12,13)
InChIKeyJDVPCYNJSHTFEZ-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.69
Rot. Bonds1

About 6-cyclopentyl-1,3,5-triazine-2,4-diamine

6-cyclopentyl-1,3,5-triazine-2,4-diamine (PubChem CID 22156012) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 6-cyclopentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopentyl-1,3,5-triazine-2,4-diamine
PubChem CID22156012
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name6-cyclopentyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C8H13N5/c9-7-11-6(12-8(10)13-7)5-3-1-2-4-5/h5H,1-4H2,(H4,9,10,11,12,13)
InChIKeyJDVPCYNJSHTFEZ-UHFFFAOYSA-N
XLogP0.69
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclopentyl-1,3,5-triazine-2,4-diamine (CID 22156012) is 6-cyclopentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclopentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclopentyl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JDVPCYNJSHTFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c9-7-11-6(12-8(10)13-7)5-3-1-2-4-5/h5H,1-4H2,(H4,9,10,11,12,13).
What are the key properties of 6-cyclopentyl-1,3,5-triazine-2,4-diamine?
6-cyclopentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 179.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22156012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).