2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline

C14H10N4S — CID 5303940

IUPAC2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1csc(Cc2nc3c4ccccc4ncn3n2)c1
InChIInChI=1S/C14H10N4S/c1-2-6-12-11(5-1)14-16-13(17-18(14)9-15-12)8-10-4-3-7-19-10/h1-7,9H,8H2
InChIKeyVSKUIHJFDYCBQA-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.93
Rot. Bonds2

About 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 5303940) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID5303940
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1csc(Cc2nc3c4ccccc4ncn3n2)c1
InChIInChI=1S/C14H10N4S/c1-2-6-12-11(5-1)14-16-13(17-18(14)9-15-12)8-10-4-3-7-19-10/h1-7,9H,8H2
InChIKeyVSKUIHJFDYCBQA-UHFFFAOYSA-N
XLogP2.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 5303940) is 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline is c1csc(Cc2nc3c4ccccc4ncn3n2)c1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is VSKUIHJFDYCBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-6-12-11(5-1)14-16-13(17-18(14)9-15-12)8-10-4-3-7-19-10/h1-7,9H,8H2.
What are the key properties of 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 266.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 5303940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).