2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride

C15H19ClN4O4 — CID 67049808

IUPAC2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)c1c(=O)cc(C2CCCCC2)n2[nH]cnc12
InChIInChI=1S/C15H18N4O4.ClH/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22;/h6,8-9H,1-5,7H2,(H,16,23)(H,17,18)(H,21,22);1H
InChIKeyMOLNYQNJUSSZDS-UHFFFAOYSA-N
MW354.79 g/mol
LogP1.31
Rot. Bonds4

About 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride

2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride (PubChem CID 67049808) has the molecular formula C15H19ClN4O4 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
PubChem CID67049808
Molecular FormulaC15H19ClN4O4
Molecular Weight354.79 g/mol
Exact Mass354.11
IUPAC Name2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC(=O)c1c(=O)cc(C2CCCCC2)n2[nH]cnc12
InChIInChI=1S/C15H18N4O4.ClH/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22;/h6,8-9H,1-5,7H2,(H,16,23)(H,17,18)(H,21,22);1H
InChIKeyMOLNYQNJUSSZDS-UHFFFAOYSA-N
XLogP1.31
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride (CID 67049808) is 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride is Cl.O=C(O)CNC(=O)c1c(=O)cc(C2CCCCC2)n2[nH]cnc12.
What is the InChIKey of 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
The InChIKey is MOLNYQNJUSSZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4.ClH/c20-11-6-10(9-4-2-1-3-5-9)19-14(17-8-18-19)13(11)15(23)16-7-12(21)22;/h6,8-9H,1-5,7H2,(H,16,23)(H,17,18)(H,21,22);1H.
What are the key properties of 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride?
2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride has a molecular weight of 354.79 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 67049808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).