5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline

C16H15N5O — CID 138006007

IUPAC5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
SMILESCOc1ccc(C2(C)Nc3ccccc3-c3nnnn32)cc1
InChIInChI=1S/C16H15N5O/c1-16(11-7-9-12(22-2)10-8-11)17-14-6-4-3-5-13(14)15-18-19-20-21(15)16/h3-10,17H,1-2H3
InChIKeyDBNBABLEYQRNSX-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.50
Rot. Bonds2

About 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline

5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline (PubChem CID 138006007) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
PubChem CID138006007
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
SMILESCOc1ccc(C2(C)Nc3ccccc3-c3nnnn32)cc1
InChIInChI=1S/C16H15N5O/c1-16(11-7-9-12(22-2)10-8-11)17-14-6-4-3-5-13(14)15-18-19-20-21(15)16/h3-10,17H,1-2H3
InChIKeyDBNBABLEYQRNSX-UHFFFAOYSA-N
XLogP2.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-chloro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035281
5-(4-Methoxy-benzyl)-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 67042612
2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135495513
ethyl 2-[2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]acetate
CID 177652525
4-(4,5-Dihydrotetrazolo[1,5-a]quinolin-7-yloxymethyl)aniline
CID 76308233
2-(2-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136092326
2-(4-methoxyphenyl)-8-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074199
7-fluoro-2-(4-methoxyphenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074229
2-(4-fluorophenyl)-9-methoxy-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074274
2-[4-(trifluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074294
2-(4-methoxyphenyl)-9-(trifluoromethyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074357
2-[2-(difluoromethoxy)phenyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 156074359

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline (CID 138006007) is 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline is COc1ccc(C2(C)Nc3ccccc3-c3nnnn32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
The InChIKey is DBNBABLEYQRNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-16(11-7-9-12(22-2)10-8-11)17-14-6-4-3-5-13(14)15-18-19-20-21(15)16/h3-10,17H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline?
5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline has a molecular weight of 293.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline is sourced from PubChem (CID 138006007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).