7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine

C11H9N5 — CID 745901

IUPAC7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)nc2nnnn12
InChIInChI=1S/C11H9N5/c1-8-7-10(9-5-3-2-4-6-9)12-11-13-14-15-16(8)11/h2-7H,1H3
InChIKeyBGHJBNXSXOFICP-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.49
Rot. Bonds1

About 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine

7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine (PubChem CID 745901) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
PubChem CID745901
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)nc2nnnn12
InChIInChI=1S/C11H9N5/c1-8-7-10(9-5-3-2-4-6-9)12-11-13-14-15-16(8)11/h2-7H,1H3
InChIKeyBGHJBNXSXOFICP-UHFFFAOYSA-N
XLogP1.49
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-5-phenyltetrazolo[1,5-a]quinazoline
CID 877898
2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 625431
4-methyl-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyridine
CID 138661699
3-(4-methylphenyl)-7-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 117058444
7-methyl-3-phenylimidazo[1,2-b][1,2,4]triazine
CID 10987529
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
2-methyl-4,6-diphenylpyridine
CID 618669
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine (CID 745901) is 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccccc2)nc2nnnn12.
What is the InChIKey of 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine?
The InChIKey is BGHJBNXSXOFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-8-7-10(9-5-3-2-4-6-9)12-11-13-14-15-16(8)11/h2-7H,1H3.
What are the key properties of 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine?
7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine has a molecular weight of 211.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 745901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).