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

C10H11ClN4S — CID 10634738

IUPAC9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCSc1nc2nc3c(c(Cl)n2n1)CCCC3
InChIInChI=1S/C10H11ClN4S/c1-16-10-13-9-12-7-5-3-2-4-6(7)8(11)15(9)14-10/h2-5H2,1H3
InChIKeyDHDNHCVFGRDNIS-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.38
Rot. Bonds1

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

9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (PubChem CID 10634738) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
PubChem CID10634738
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline
SMILESCSc1nc2nc3c(c(Cl)n2n1)CCCC3
InChIInChI=1S/C10H11ClN4S/c1-16-10-13-9-12-7-5-3-2-4-6(7)8(11)15(9)14-10/h2-5H2,1H3
InChIKeyDHDNHCVFGRDNIS-UHFFFAOYSA-N
XLogP2.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The IUPAC name of 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline (CID 10634738) is 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The canonical SMILES for 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is CSc1nc2nc3c(c(Cl)n2n1)CCCC3.
What is the InChIKey of 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
The InChIKey is DHDNHCVFGRDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-16-10-13-9-12-7-5-3-2-4-6(7)8(11)15(9)14-10/h2-5H2,1H3.
What are the key properties of 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline?
9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline has a molecular weight of 254.75 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methylsulfanyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazoline is sourced from PubChem (CID 10634738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).