7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C13H18N4O — CID 43433068

IUPAC7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC(C)C2CCCO2)n2ncnc2c1
InChIInChI=1S/C13H18N4O/c1-9-6-12-14-8-15-17(12)13(7-9)16-10(2)11-4-3-5-18-11/h6-8,10-11,16H,3-5H2,1-2H3
InChIKeyLJRUUICGDMUZQT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds3

About 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 43433068) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID43433068
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NC(C)C2CCCO2)n2ncnc2c1
InChIInChI=1S/C13H18N4O/c1-9-6-12-14-8-15-17(12)13(7-9)16-10(2)11-4-3-5-18-11/h6-8,10-11,16H,3-5H2,1-2H3
InChIKeyLJRUUICGDMUZQT-UHFFFAOYSA-N
XLogP2.02
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 43433068) is 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NC(C)C2CCCO2)n2ncnc2c1.
What is the InChIKey of 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is LJRUUICGDMUZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-6-12-14-8-15-17(12)13(7-9)16-10(2)11-4-3-5-18-11/h6-8,10-11,16H,3-5H2,1-2H3.
What are the key properties of 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 246.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 43433068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).