1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C16H18N8OS — CID 25413078

IUPAC1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2c(CSc3nnnn3C(C)(C)C)nnc12
InChIInChI=1S/C16H18N8OS/c1-16(2,3)24-15(19-20-21-24)26-9-12-17-18-14-22(4)13(25)10-7-5-6-8-11(10)23(12)14/h5-8H,9H2,1-4H3
InChIKeyRDZUEUATFIGZLS-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.62
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 25413078) has the molecular formula C16H18N8OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID25413078
Molecular FormulaC16H18N8OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCn1c(=O)c2ccccc2n2c(CSc3nnnn3C(C)(C)C)nnc12
InChIInChI=1S/C16H18N8OS/c1-16(2,3)24-15(19-20-21-24)26-9-12-17-18-14-22(4)13(25)10-7-5-6-8-11(10)23(12)14/h5-8H,9H2,1-4H3
InChIKeyRDZUEUATFIGZLS-UHFFFAOYSA-N
XLogP1.62
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethyl)-4-methyl-4H,5H-(1,2,4)triazolo(4,3-a)quinazolin-5-one
CID 2560531
N,N-dimethyl-2-[(5-oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2429151
2-[(5-Oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493330
4-Amino-1-propylsulfanyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 1993191
4-Cyclopentyl-1-[2-(3-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 648940
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-4-ethyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
1-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-4-cyclopentyl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 653168
1-(chloromethyl)-4-pentyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2090922
7-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2110751
1-(chloromethyl)-4-(3-methylbutyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 2125318
2-[(5-Oxo-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2413312
1-[[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2482938

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 25413078) is 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cn1c(=O)c2ccccc2n2c(CSc3nnnn3C(C)(C)C)nnc12.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is RDZUEUATFIGZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8OS/c1-16(2,3)24-15(19-20-21-24)26-9-12-17-18-14-22(4)13(25)10-7-5-6-8-11(10)23(12)14/h5-8H,9H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 370.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 25413078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).