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

C11H18N4O — CID 81057614

IUPAC4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine
SMILESCC1(c2nnc3n2CCCC3)COCC1N
InChIInChI=1S/C11H18N4O/c1-11(7-16-6-8(11)12)10-14-13-9-4-2-3-5-15(9)10/h8H,2-7,12H2,1H3
InChIKeyVIXFUDRYVVOIHW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.23
Rot. Bonds1

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

4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine (PubChem CID 81057614) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine
PubChem CID81057614
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine
SMILESCC1(c2nnc3n2CCCC3)COCC1N
InChIInChI=1S/C11H18N4O/c1-11(7-16-6-8(11)12)10-14-13-9-4-2-3-5-15(9)10/h8H,2-7,12H2,1H3
InChIKeyVIXFUDRYVVOIHW-UHFFFAOYSA-N
XLogP0.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine?
The IUPAC name of 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine (CID 81057614) is 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine?
The canonical SMILES for 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine is CC1(c2nnc3n2CCCC3)COCC1N.
What is the InChIKey of 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine?
The InChIKey is VIXFUDRYVVOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(7-16-6-8(11)12)10-14-13-9-4-2-3-5-15(9)10/h8H,2-7,12H2,1H3.
What are the key properties of 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine?
4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolan-3-amine is sourced from PubChem (CID 81057614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).