2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C14H17N5O2 — CID 63330966

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCn1cnnc1CCNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H17N5O2/c1-19-8-16-18-12(19)5-6-15-13-10(14(20)21)7-9-3-2-4-11(9)17-13/h7-8H,2-6H2,1H3,(H,15,17)(H,20,21)
InChIKeyBMSSCOIODCUJGJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.05
Rot. Bonds5

About 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 63330966) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID63330966
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCn1cnnc1CCNc1nc2c(cc1C(=O)O)CCC2
InChIInChI=1S/C14H17N5O2/c1-19-8-16-18-12(19)5-6-15-13-10(14(20)21)7-9-3-2-4-11(9)17-13/h7-8H,2-6H2,1H3,(H,15,17)(H,20,21)
InChIKeyBMSSCOIODCUJGJ-UHFFFAOYSA-N
XLogP1.05
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 63330966) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is Cn1cnnc1CCNc1nc2c(cc1C(=O)O)CCC2.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is BMSSCOIODCUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19-8-16-18-12(19)5-6-15-13-10(14(20)21)7-9-3-2-4-11(9)17-13/h7-8H,2-6H2,1H3,(H,15,17)(H,20,21).
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 63330966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).