1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol

C22H23N5O2 — CID 134547916

IUPAC1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol
SMILESCc1cccc(N2N=NN(C)C2O)c1COc1ccc(-c2ccccc2)c(C)n1
InChIInChI=1S/C22H23N5O2/c1-15-8-7-11-20(27-22(28)26(3)24-25-27)19(15)14-29-21-13-12-18(16(2)23-21)17-9-5-4-6-10-17/h4-13,22,28H,14H2,1-3H3
InChIKeyIFMGGEPCOUWJNA-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.25
Rot. Bonds5

About 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol

1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol (PubChem CID 134547916) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol
PubChem CID134547916
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol
SMILESCc1cccc(N2N=NN(C)C2O)c1COc1ccc(-c2ccccc2)c(C)n1
InChIInChI=1S/C22H23N5O2/c1-15-8-7-11-20(27-22(28)26(3)24-25-27)19(15)14-29-21-13-12-18(16(2)23-21)17-9-5-4-6-10-17/h4-13,22,28H,14H2,1-3H3
InChIKeyIFMGGEPCOUWJNA-UHFFFAOYSA-N
XLogP4.25
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol?
The IUPAC name of 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol (CID 134547916) is 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol.
What is the SMILES notation for 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol?
The canonical SMILES for 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol is Cc1cccc(N2N=NN(C)C2O)c1COc1ccc(-c2ccccc2)c(C)n1.
What is the InChIKey of 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol?
The InChIKey is IFMGGEPCOUWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-8-7-11-20(27-22(28)26(3)24-25-27)19(15)14-29-21-13-12-18(16(2)23-21)17-9-5-4-6-10-17/h4-13,22,28H,14H2,1-3H3.
What are the key properties of 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol?
1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol has a molecular weight of 389.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-2-[(6-methyl-5-phenyl-2-pyridinyl)oxymethyl]phenyl]-5H-tetrazol-5-ol is sourced from PubChem (CID 134547916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).