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

C15H22N6 — CID 1448236

IUPAC9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCCN1CCN(c2c3c(nc4ncnn24)CCCC3)CC1
InChIInChI=1S/C15H22N6/c1-2-19-7-9-20(10-8-19)14-12-5-3-4-6-13(12)18-15-16-11-17-21(14)15/h11H,2-10H2,1H3
InChIKeyUJBGUEOANQAMLW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.14
Rot. Bonds2

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

9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 1448236) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID1448236
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCCN1CCN(c2c3c(nc4ncnn24)CCCC3)CC1
InChIInChI=1S/C15H22N6/c1-2-19-7-9-20(10-8-19)14-12-5-3-4-6-13(12)18-15-16-11-17-21(14)15/h11H,2-10H2,1H3
InChIKeyUJBGUEOANQAMLW-UHFFFAOYSA-N
XLogP1.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 1448236) is 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is CCN1CCN(c2c3c(nc4ncnn24)CCCC3)CC1.
What is the InChIKey of 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is UJBGUEOANQAMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-19-7-9-20(10-8-19)14-12-5-3-4-6-13(12)18-15-16-11-17-21(14)15/h11H,2-10H2,1H3.
What are the key properties of 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 286.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 1448236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).