7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C11H13N5O — CID 137012178

IUPAC7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3nnnn32)cc1
InChIInChI=1S/C11H13N5O/c1-17-9-4-2-8(3-5-9)10-6-7-12-11-13-14-15-16(10)11/h2-5,10H,6-7H2,1H3,(H,12,13,15)
InChIKeyADSVVGUIQJDAAD-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.09
Rot. Bonds2

About 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 137012178) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID137012178
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2CCNc3nnnn32)cc1
InChIInChI=1S/C11H13N5O/c1-17-9-4-2-8(3-5-9)10-6-7-12-11-13-14-15-16(10)11/h2-5,10H,6-7H2,1H3,(H,12,13,15)
InChIKeyADSVVGUIQJDAAD-UHFFFAOYSA-N
XLogP1.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 137012178) is 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2CCNc3nnnn32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ADSVVGUIQJDAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-9-4-2-8(3-5-9)10-6-7-12-11-13-14-15-16(10)11/h2-5,10H,6-7H2,1H3,(H,12,13,15).
What are the key properties of 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 231.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 137012178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).