methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C14H18N4O2 — CID 117257442

IUPACmethyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CNC3CCCC3)nnc12
InChIInChI=1S/C14H18N4O2/c1-20-14(19)11-7-4-8-18-12(16-17-13(11)18)9-15-10-5-2-3-6-10/h4,7-8,10,15H,2-3,5-6,9H2,1H3
InChIKeyLXMZBYVCPAXVEM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds4

About methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 117257442) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID117257442
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CNC3CCCC3)nnc12
InChIInChI=1S/C14H18N4O2/c1-20-14(19)11-7-4-8-18-12(16-17-13(11)18)9-15-10-5-2-3-6-10/h4,7-8,10,15H,2-3,5-6,9H2,1H3
InChIKeyLXMZBYVCPAXVEM-UHFFFAOYSA-N
XLogP1.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate with MolForge

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Related Compounds

3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
methyl 3-(piperidin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147604
methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147425
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147559
methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
methyl 3-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147483
methyl 3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147397
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117257174
methyl 3-cyclohexylimidazo[1,5-a]pyridine-8-carboxylate
CID 117147778
3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257305

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 117257442) is methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CNC3CCCC3)nnc12.
What is the InChIKey of methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is LXMZBYVCPAXVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)11-7-4-8-18-12(16-17-13(11)18)9-15-10-5-2-3-6-10/h4,7-8,10,15H,2-3,5-6,9H2,1H3.
What are the key properties of methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 117257442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).