N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C17H26N4O — CID 91660543

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESC1CCn2c(nnc2CNC2C3CCOC3C23CCCC3)C1
InChIInChI=1S/C17H26N4O/c1-4-9-21-13(5-1)19-20-14(21)11-18-15-12-6-10-22-16(12)17(15)7-2-3-8-17/h12,15-16,18H,1-11H2
InChIKeyFSPRKRORBUGYLG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds3

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 91660543) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID91660543
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESC1CCn2c(nnc2CNC2C3CCOC3C23CCCC3)C1
InChIInChI=1S/C17H26N4O/c1-4-9-21-13(5-1)19-20-14(21)11-18-15-12-6-10-22-16(12)17(15)7-2-3-8-17/h12,15-16,18H,1-11H2
InChIKeyFSPRKRORBUGYLG-UHFFFAOYSA-N
XLogP2.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 91660543) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is C1CCn2c(nnc2CNC2C3CCOC3C23CCCC3)C1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is FSPRKRORBUGYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-9-21-13(5-1)19-20-14(21)11-18-15-12-6-10-22-16(12)17(15)7-2-3-8-17/h12,15-16,18H,1-11H2.
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 302.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 91660543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).