1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine

C13H19N5 — CID 106738088

IUPAC1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1nc2ccccn2n1)C1CCCC1
InChIInChI=1S/C13H19N5/c14-9-11(10-5-1-2-6-10)15-13-16-12-7-3-4-8-18(12)17-13/h3-4,7-8,10-11H,1-2,5-6,9,14H2,(H,15,17)
InChIKeyVPSHWXGHEXSOBY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.66
Rot. Bonds4

About 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine

1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine (PubChem CID 106738088) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
PubChem CID106738088
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1nc2ccccn2n1)C1CCCC1
InChIInChI=1S/C13H19N5/c14-9-11(10-5-1-2-6-10)15-13-16-12-7-3-4-8-18(12)17-13/h3-4,7-8,10-11H,1-2,5-6,9,14H2,(H,15,17)
InChIKeyVPSHWXGHEXSOBY-UHFFFAOYSA-N
XLogP1.66
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine (CID 106738088) is 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine is NCC(Nc1nc2ccccn2n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is VPSHWXGHEXSOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-9-11(10-5-1-2-6-10)15-13-16-12-7-3-4-8-18(12)17-13/h3-4,7-8,10-11H,1-2,5-6,9,14H2,(H,15,17).
What are the key properties of 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine?
1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106738088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).