N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C15H26N4O — CID 75516192

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCC1(CC)C(NC2CCCn3ncnc32)CC1OC
InChIInChI=1S/C15H26N4O/c1-4-15(5-2)12(9-13(15)20-3)18-11-7-6-8-19-14(11)16-10-17-19/h10-13,18H,4-9H2,1-3H3
InChIKeyWLKJJUYDIFVTAJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds5

About N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 75516192) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID75516192
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCC1(CC)C(NC2CCCn3ncnc32)CC1OC
InChIInChI=1S/C15H26N4O/c1-4-15(5-2)12(9-13(15)20-3)18-11-7-6-8-19-14(11)16-10-17-19/h10-13,18H,4-9H2,1-3H3
InChIKeyWLKJJUYDIFVTAJ-UHFFFAOYSA-N
XLogP2.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 75516192) is N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCC1(CC)C(NC2CCCn3ncnc32)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is WLKJJUYDIFVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-15(5-2)12(9-13(15)20-3)18-11-7-6-8-19-14(11)16-10-17-19/h10-13,18H,4-9H2,1-3H3.
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 278.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 75516192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).