8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

C16H14N4OS — CID 122183382

IUPAC8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCc1ccccc1N1CCn2c1nnc(-c1cccs1)c2=O
InChIInChI=1S/C16H14N4OS/c1-11-5-2-3-6-12(11)19-8-9-20-15(21)14(17-18-16(19)20)13-7-4-10-22-13/h2-7,10H,8-9H2,1H3
InChIKeyKKOUXQCGYDPQBL-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.83
Rot. Bonds2

About 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one

8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 122183382) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID122183382
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one
SMILESCc1ccccc1N1CCn2c1nnc(-c1cccs1)c2=O
InChIInChI=1S/C16H14N4OS/c1-11-5-2-3-6-12(11)19-8-9-20-15(21)14(17-18-16(19)20)13-7-4-10-22-13/h2-7,10H,8-9H2,1H3
InChIKeyKKOUXQCGYDPQBL-UHFFFAOYSA-N
XLogP2.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one (CID 122183382) is 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is Cc1ccccc1N1CCn2c1nnc(-c1cccs1)c2=O.
What is the InChIKey of 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is KKOUXQCGYDPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-11-5-2-3-6-12(11)19-8-9-20-15(21)14(17-18-16(19)20)13-7-4-10-22-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one?
8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 310.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-3-thiophen-2-yl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 122183382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).