6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H15ClN4 — CID 106177699

IUPAC6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESClc1ccc2nc(NCCC3=CCCC3)nn2c1
InChIInChI=1S/C13H15ClN4/c14-11-5-6-12-16-13(17-18(12)9-11)15-8-7-10-3-1-2-4-10/h3,5-6,9H,1-2,4,7-8H2,(H,15,17)
InChIKeyJZAGDLJJZAUNAA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.30
Rot. Bonds4

About 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106177699) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106177699
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESClc1ccc2nc(NCCC3=CCCC3)nn2c1
InChIInChI=1S/C13H15ClN4/c14-11-5-6-12-16-13(17-18(12)9-11)15-8-7-10-3-1-2-4-10/h3,5-6,9H,1-2,4,7-8H2,(H,15,17)
InChIKeyJZAGDLJJZAUNAA-UHFFFAOYSA-N
XLogP3.30
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103844181
5-N-(4-chlorophenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112943216
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106174357
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911271
4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106197331
3,5-dichloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-2-amine
CID 106177550
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
CID 103844205
4-N-(4-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16910687
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106177699) is 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Clc1ccc2nc(NCCC3=CCCC3)nn2c1.
What is the InChIKey of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JZAGDLJJZAUNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c14-11-5-6-12-16-13(17-18(12)9-11)15-8-7-10-3-1-2-4-10/h3,5-6,9H,1-2,4,7-8H2,(H,15,17).
What are the key properties of 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106177699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).