N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C12H16N4O2 — CID 131914859

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1nnc2ccccn12
InChIInChI=1S/C12H16N4O2/c1-2-18-10-8-17-7-9(10)13-12-15-14-11-5-3-4-6-16(11)12/h3-6,9-10H,2,7-8H2,1H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyYPIHBUSFNVVCQA-UWVGGRQHSA-N
MW248.29 g/mol
LogP0.95
Rot. Bonds4

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 131914859) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID131914859
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCO[C@H]1COC[C@@H]1Nc1nnc2ccccn12
InChIInChI=1S/C12H16N4O2/c1-2-18-10-8-17-7-9(10)13-12-15-14-11-5-3-4-6-16(11)12/h3-6,9-10H,2,7-8H2,1H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyYPIHBUSFNVVCQA-UWVGGRQHSA-N
XLogP0.95
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine with MolForge

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Related Compounds

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887479
N-(1,4-dioxan-2-ylmethyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-amine
CID 56755879
2-Ethoxy-N-[1,2,4]triazolo[4,3-A]pyridin-3-ylacetamide
CID 53204392
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-2-carboxamide
CID 53204396
N-(sec-butyl)-N'-[1,2,4]triazolo[4,3-a]pyridin-3-ylurea
CID 53204471
6-[(4-[1,2,4]Triazolo[4,3-a]pyridin-3-yl-1-piperidinyl)methyl]-1,4-oxazepan-6-ol dihydrochloride
CID 70764731
3-Ethoxycarbonylamino-s-triazolo[4,3-a]pyridine
CID 13998361
(Propan-2-yl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine
CID 43425582
2-(2-methylpropoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 45819202
2-cyclopentyloxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 45830633
N-(3-ethoxypropyl)-N'-[1,2,4]triazolo[4,3-a]pyridin-3-ylurea
CID 53204463
3-[2-[(2-Methylpropan-2-yl)oxy]ethoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 53589899

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 131914859) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CCO[C@H]1COC[C@@H]1Nc1nnc2ccccn12.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is YPIHBUSFNVVCQA-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-18-10-8-17-7-9(10)13-12-15-14-11-5-3-4-6-16(11)12/h3-6,9-10H,2,7-8H2,1H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 248.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 131914859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).