2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine

C10H18N4O — CID 81252448

IUPAC2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine
SMILESCC1CCn2c(COCCN)nnc2C1
InChIInChI=1S/C10H18N4O/c1-8-2-4-14-9(6-8)12-13-10(14)7-15-5-3-11/h8H,2-7,11H2,1H3
InChIKeyBROSIBCHKZJWAQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds4

About 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine

2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine (PubChem CID 81252448) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine
PubChem CID81252448
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine
SMILESCC1CCn2c(COCCN)nnc2C1
InChIInChI=1S/C10H18N4O/c1-8-2-4-14-9(6-8)12-13-10(14)7-15-5-3-11/h8H,2-7,11H2,1H3
InChIKeyBROSIBCHKZJWAQ-UHFFFAOYSA-N
XLogP0.34
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine?
The IUPAC name of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine (CID 81252448) is 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine is CC1CCn2c(COCCN)nnc2C1.
What is the InChIKey of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine?
The InChIKey is BROSIBCHKZJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-2-4-14-9(6-8)12-13-10(14)7-15-5-3-11/h8H,2-7,11H2,1H3.
What are the key properties of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine?
2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]ethanamine is sourced from PubChem (CID 81252448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).