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

C12H22N4O — CID 103028644

IUPAC[3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCOC(C)(C)Cc1nnc2n1CC(CN)CC2
InChIInChI=1S/C12H22N4O/c1-12(2,17-3)6-11-15-14-10-5-4-9(7-13)8-16(10)11/h9H,4-8,13H2,1-3H3
InChIKeyBFTUYQJXDWUZKC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds4

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

[3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 103028644) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
PubChem CID103028644
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
SMILESCOC(C)(C)Cc1nnc2n1CC(CN)CC2
InChIInChI=1S/C12H22N4O/c1-12(2,17-3)6-11-15-14-10-5-4-9(7-13)8-16(10)11/h9H,4-8,13H2,1-3H3
InChIKeyBFTUYQJXDWUZKC-UHFFFAOYSA-N
XLogP0.77
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The IUPAC name of [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 103028644) is [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The canonical SMILES for [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is COC(C)(C)Cc1nnc2n1CC(CN)CC2.
What is the InChIKey of [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
The InChIKey is BFTUYQJXDWUZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,17-3)6-11-15-14-10-5-4-9(7-13)8-16(10)11/h9H,4-8,13H2,1-3H3.
What are the key properties of [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?
[3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 103028644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).