5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate

C13H15N5O2 — CID 107078632

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2nnc3n2CCCC3)nc1
InChIInChI=1S/C13H15N5O2/c14-9-4-5-10(15-7-9)13(19)20-8-12-17-16-11-3-1-2-6-18(11)12/h4-5,7H,1-3,6,8,14H2
InChIKeyUBQLFBHVADSRBB-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.95
Rot. Bonds3

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate (PubChem CID 107078632) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate
PubChem CID107078632
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2nnc3n2CCCC3)nc1
InChIInChI=1S/C13H15N5O2/c14-9-4-5-10(15-7-9)13(19)20-8-12-17-16-11-3-1-2-6-18(11)12/h4-5,7H,1-3,6,8,14H2
InChIKeyUBQLFBHVADSRBB-UHFFFAOYSA-N
XLogP0.95
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate with MolForge

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Related Compounds

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 2-(4-aminophenyl)acetate
CID 107078609
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 3-amino-2-methylbenzoate
CID 107078611
2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
CID 81315987
[2-(azepan-1-yl)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316115
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)acetic acid
CID 62875346
(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)propanoic acid
CID 107076457
3-[(4-ethylphenoxy)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 7566122
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
3-bromo-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzoic acid
CID 107077960
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzoic acid
CID 107076427
4-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076335
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl 2-quinolin-6-ylacetate
CID 166262632

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate (CID 107078632) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCc2nnc3n2CCCC3)nc1.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate?
The InChIKey is UBQLFBHVADSRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-9-4-5-10(15-7-9)13(19)20-8-12-17-16-11-3-1-2-6-18(11)12/h4-5,7H,1-3,6,8,14H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate has a molecular weight of 273.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 107078632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).