N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C18H32N4O2 — CID 126818727

IUPACN-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC1CC(OC(C)(C)C)C1(C)C)CC2
InChIInChI=1S/C18H32N4O2/c1-17(2,3)24-14-9-13(18(14,4)5)19-12-7-8-16-20-15(11-23-6)21-22(16)10-12/h12-14,19H,7-11H2,1-6H3
InChIKeyGUBSMVZVUITPKY-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.31
Rot. Bonds5

About N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 126818727) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID126818727
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOCc1nc2n(n1)CC(NC1CC(OC(C)(C)C)C1(C)C)CC2
InChIInChI=1S/C18H32N4O2/c1-17(2,3)24-14-9-13(18(14,4)5)19-12-7-8-16-20-15(11-23-6)21-22(16)10-12/h12-14,19H,7-11H2,1-6H3
InChIKeyGUBSMVZVUITPKY-UHFFFAOYSA-N
XLogP2.31
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 126818727) is N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COCc1nc2n(n1)CC(NC1CC(OC(C)(C)C)C1(C)C)CC2.
What is the InChIKey of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is GUBSMVZVUITPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-17(2,3)24-14-9-13(18(14,4)5)19-12-7-8-16-20-15(11-23-6)21-22(16)10-12/h12-14,19H,7-11H2,1-6H3.
What are the key properties of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 336.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 126818727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).