1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

C15H19N5O — CID 82365326

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C)cc1CN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C15H19N5O/c1-11-5-6-14(21-2)13(8-11)10-20-7-3-4-12(9-20)15-16-18-19-17-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,17,18,19)
InChIKeyUBRLYBFPNRMKCC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.81
Rot. Bonds4

About 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365326) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365326
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(C)cc1CN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C15H19N5O/c1-11-5-6-14(21-2)13(8-11)10-20-7-3-4-12(9-20)15-16-18-19-17-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,17,18,19)
InChIKeyUBRLYBFPNRMKCC-UHFFFAOYSA-N
XLogP1.81
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365326) is 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is COc1ccc(C)cc1CN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is UBRLYBFPNRMKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-5-6-14(21-2)13(8-11)10-20-7-3-4-12(9-20)15-16-18-19-17-15/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 285.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).