3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine

C14H10N4S — CID 706123

IUPAC3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(-c3cccs3)nn12
InChIInChI=1S/C14H10N4S/c1-9-15-16-14-11-6-3-2-5-10(11)13(17-18(9)14)12-7-4-8-19-12/h2-8H,1H3
InChIKeyJYZPNMBQMRVYQS-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.31
Rot. Bonds1

About 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine

3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 706123) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID706123
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3ccccc3c(-c3cccs3)nn12
InChIInChI=1S/C14H10N4S/c1-9-15-16-14-11-6-3-2-5-10(11)13(17-18(9)14)12-7-4-8-19-12/h2-8H,1H3
InChIKeyJYZPNMBQMRVYQS-UHFFFAOYSA-N
XLogP3.31
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
6-Methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 936322
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 52948010
3-Methyl-6-phenyl[1,2,4]triazolo[3,4-a]phthalazine
CID 272110
3-Methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531835
3-(Ethylthio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531836
6-Benzylsulfanyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 11440056
3-Thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 71578245
6-Methyl-3-o-tolyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 938072
6-Amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile
CID 666603
1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylthio)-3-phenyl-
CID 3071234
1,2,4-Triazolo(3,4-a)phthalazine, 6-(ethylsulfinyl)-3-phenyl-
CID 3071236

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine (CID 706123) is 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nnc2c3ccccc3c(-c3cccs3)nn12.
What is the InChIKey of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is JYZPNMBQMRVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-9-15-16-14-11-6-3-2-5-10(11)13(17-18(9)14)12-7-4-8-19-12/h2-8H,1H3.
What are the key properties of 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine?
3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 266.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-thiophen-2-yl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 706123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).