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

C13H18N6 — CID 1448285

IUPAC9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESc1nc2nc3c(c(N4CCNCC4)n2n1)CCCC3
InChIInChI=1S/C13H18N6/c1-2-4-11-10(3-1)12(18-7-5-14-6-8-18)19-13(17-11)15-9-16-19/h9,14H,1-8H2
InChIKeyKQEBBKIXFWJHCT-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.41
Rot. Bonds1

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

9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 1448285) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID1448285
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESc1nc2nc3c(c(N4CCNCC4)n2n1)CCCC3
InChIInChI=1S/C13H18N6/c1-2-4-11-10(3-1)12(18-7-5-14-6-8-18)19-13(17-11)15-9-16-19/h9,14H,1-8H2
InChIKeyKQEBBKIXFWJHCT-UHFFFAOYSA-N
XLogP0.41
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 1448285) is 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is c1nc2nc3c(c(N4CCNCC4)n2n1)CCCC3.
What is the InChIKey of 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is KQEBBKIXFWJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-4-11-10(3-1)12(18-7-5-14-6-8-18)19-13(17-11)15-9-16-19/h9,14H,1-8H2.
What are the key properties of 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 258.33 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperazin-1-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 1448285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).