9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

C17H25N5 — CID 46096735

IUPAC9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESc1nc2nc3c(c(N4CCCCCCCC4)n2n1)CCCC3
InChIInChI=1S/C17H25N5/c1-2-4-8-12-21(11-7-3-1)16-14-9-5-6-10-15(14)20-17-18-13-19-22(16)17/h13H,1-12H2
InChIKeyNBQHQAZEEQQZGV-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.16
Rot. Bonds1

About 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline

9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 46096735) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID46096735
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESc1nc2nc3c(c(N4CCCCCCCC4)n2n1)CCCC3
InChIInChI=1S/C17H25N5/c1-2-4-8-12-21(11-7-3-1)16-14-9-5-6-10-15(14)20-17-18-13-19-22(16)17/h13H,1-12H2
InChIKeyNBQHQAZEEQQZGV-UHFFFAOYSA-N
XLogP3.16
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 46096735) is 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is c1nc2nc3c(c(N4CCCCCCCC4)n2n1)CCCC3.
What is the InChIKey of 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is NBQHQAZEEQQZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-4-8-12-21(11-7-3-1)16-14-9-5-6-10-15(14)20-17-18-13-19-22(16)17/h13H,1-12H2.
What are the key properties of 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 299.42 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 46096735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).