1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione

C16H15N5O2S — CID 35364253

IUPAC1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc2c3ccccc3nc(SCCN3C(=O)CCC3=O)n2n1
InChIInChI=1S/C16H15N5O2S/c1-10-17-15-11-4-2-3-5-12(11)18-16(21(15)19-10)24-9-8-20-13(22)6-7-14(20)23/h2-5H,6-9H2,1H3
InChIKeyQGFDKPGCCBEVQI-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione

1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione (PubChem CID 35364253) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
PubChem CID35364253
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc2c3ccccc3nc(SCCN3C(=O)CCC3=O)n2n1
InChIInChI=1S/C16H15N5O2S/c1-10-17-15-11-4-2-3-5-12(11)18-16(21(15)19-10)24-9-8-20-13(22)6-7-14(20)23/h2-5H,6-9H2,1H3
InChIKeyQGFDKPGCCBEVQI-UHFFFAOYSA-N
XLogP1.83
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35358841
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 167961936
5-[3-(4-methoxyphenoxy)propylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601166
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 4172773
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 55482715
5-[2-(3-fluorophenoxy)ethylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 39537017
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601221
N-(3,3-dimethylbutyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 87019247
5-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 112807755
5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
CID 16612283
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46683994

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione (CID 35364253) is 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione is Cc1nc2c3ccccc3nc(SCCN3C(=O)CCC3=O)n2n1.
What is the InChIKey of 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is QGFDKPGCCBEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10-17-15-11-4-2-3-5-12(11)18-16(21(15)19-10)24-9-8-20-13(22)6-7-14(20)23/h2-5H,6-9H2,1H3.
What are the key properties of 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione?
1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 341.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 35364253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).