2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine

C15H22N4 — CID 79860135

IUPAC2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine
SMILESCC(NC1CCCC1(C)C)c1nnc2ccccn12
InChIInChI=1S/C15H22N4/c1-11(16-12-7-6-9-15(12,2)3)14-18-17-13-8-4-5-10-19(13)14/h4-5,8,10-12,16H,6-7,9H2,1-3H3
InChIKeyDEWZHGZYMFGFBU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.96
Rot. Bonds3

About 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine

2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 79860135) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine
PubChem CID79860135
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine
SMILESCC(NC1CCCC1(C)C)c1nnc2ccccn12
InChIInChI=1S/C15H22N4/c1-11(16-12-7-6-9-15(12,2)3)14-18-17-13-8-4-5-10-19(13)14/h4-5,8,10-12,16H,6-7,9H2,1-3H3
InChIKeyDEWZHGZYMFGFBU-UHFFFAOYSA-N
XLogP2.96
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine (CID 79860135) is 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine is CC(NC1CCCC1(C)C)c1nnc2ccccn12.
What is the InChIKey of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is DEWZHGZYMFGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(16-12-7-6-9-15(12,2)3)14-18-17-13-8-4-5-10-19(13)14/h4-5,8,10-12,16H,6-7,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79860135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).