2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

C17H26N6OS — CID 12023099

IUPAC2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCSc1nc2nc3c(c(NCCN4CCOCC4)n2n1)CCCC3
InChIInChI=1S/C17H26N6OS/c1-2-25-17-20-16-19-14-6-4-3-5-13(14)15(23(16)21-17)18-7-8-22-9-11-24-12-10-22/h18H,2-12H2,1H3
InChIKeyUWYLXQXYBRYRFL-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.86
Rot. Bonds6

About 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine

2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (PubChem CID 12023099) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
PubChem CID12023099
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
SMILESCCSc1nc2nc3c(c(NCCN4CCOCC4)n2n1)CCCC3
InChIInChI=1S/C17H26N6OS/c1-2-25-17-20-16-19-14-6-4-3-5-13(14)15(23(16)21-17)18-7-8-22-9-11-24-12-10-22/h18H,2-12H2,1H3
InChIKeyUWYLXQXYBRYRFL-UHFFFAOYSA-N
XLogP1.86
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine (CID 12023099) is 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is CCSc1nc2nc3c(c(NCCN4CCOCC4)n2n1)CCCC3.
What is the InChIKey of 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
The InChIKey is UWYLXQXYBRYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-2-25-17-20-16-19-14-6-4-3-5-13(14)15(23(16)21-17)18-7-8-22-9-11-24-12-10-22/h18H,2-12H2,1H3.
What are the key properties of 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine?
2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine has a molecular weight of 362.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 12023099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).