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

C13H17N5 — CID 46094469

IUPAC9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESc1nc2nc3c(c(N4CCCC4)n2n1)CCCC3
InChIInChI=1S/C13H17N5/c1-2-6-11-10(5-1)12(17-7-3-4-8-17)18-13(16-11)14-9-15-18/h9H,1-8H2
InChIKeyINBYQARZHQBUSC-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.60
Rot. Bonds1

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

9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 46094469) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID46094469
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESc1nc2nc3c(c(N4CCCC4)n2n1)CCCC3
InChIInChI=1S/C13H17N5/c1-2-6-11-10(5-1)12(17-7-3-4-8-17)18-13(16-11)14-9-15-18/h9H,1-8H2
InChIKeyINBYQARZHQBUSC-UHFFFAOYSA-N
XLogP1.60
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 46094469) is 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is c1nc2nc3c(c(N4CCCC4)n2n1)CCCC3.
What is the InChIKey of 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is INBYQARZHQBUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-6-11-10(5-1)12(17-7-3-4-8-17)18-13(16-11)14-9-15-18/h9H,1-8H2.
What are the key properties of 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 243.31 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 46094469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).