5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

C17H13N7S — CID 54581526

IUPAC5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1
InChIInChI=1S/C17H13N7S/c1-11-19-15-13-5-2-3-6-14(13)21-17(24(15)22-11)25-10-12-9-23-8-4-7-18-16(23)20-12/h2-9H,10H2,1H3
InChIKeyAVDWLKUCVZKGDP-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.92
Rot. Bonds3

About 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline

5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 54581526) has the molecular formula C17H13N7S and a molecular weight of 347.41 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID54581526
Molecular FormulaC17H13N7S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Name5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1nc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1
InChIInChI=1S/C17H13N7S/c1-11-19-15-13-5-2-3-6-14(13)21-17(24(15)22-11)25-10-12-9-23-8-4-7-18-16(23)20-12/h2-9H,10H2,1H3
InChIKeyAVDWLKUCVZKGDP-UHFFFAOYSA-N
XLogP2.92
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline (CID 54581526) is 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is Cc1nc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1.
What is the InChIKey of 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is AVDWLKUCVZKGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7S/c1-11-19-15-13-5-2-3-6-14(13)21-17(24(15)22-11)25-10-12-9-23-8-4-7-18-16(23)20-12/h2-9H,10H2,1H3.
What are the key properties of 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline?
5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 347.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 54581526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).