5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C11H11N5 — CID 3659941

IUPAC5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC1=CC(c2ccccc2)n2nnnc2N1
InChIInChI=1S/C11H11N5/c1-8-7-10(9-5-3-2-4-6-9)16-11(12-8)13-14-15-16/h2-7,10H,1H3,(H,12,13,15)
InChIKeyIDMQIZDTPHMAHG-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.59
Rot. Bonds1

About 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3659941) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3659941
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCC1=CC(c2ccccc2)n2nnnc2N1
InChIInChI=1S/C11H11N5/c1-8-7-10(9-5-3-2-4-6-9)16-11(12-8)13-14-15-16/h2-7,10H,1H3,(H,12,13,15)
InChIKeyIDMQIZDTPHMAHG-UHFFFAOYSA-N
XLogP1.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3659941) is 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CC1=CC(c2ccccc2)n2nnnc2N1.
What is the InChIKey of 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is IDMQIZDTPHMAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-8-7-10(9-5-3-2-4-6-9)16-11(12-8)13-14-15-16/h2-7,10H,1H3,(H,12,13,15).
What are the key properties of 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 213.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3659941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).