4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

C17H21N7O — CID 133281997

IUPAC4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1ccc(-n2nnnc2N2CCOC(Cn3cc(C)cn3)C2)cc1
InChIInChI=1S/C17H21N7O/c1-13-3-5-15(6-4-13)24-17(19-20-21-24)22-7-8-25-16(11-22)12-23-10-14(2)9-18-23/h3-6,9-10,16H,7-8,11-12H2,1-2H3
InChIKeyGDMSBGWHLYHXGY-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.38
Rot. Bonds4

About 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 133281997) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID133281997
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1ccc(-n2nnnc2N2CCOC(Cn3cc(C)cn3)C2)cc1
InChIInChI=1S/C17H21N7O/c1-13-3-5-15(6-4-13)24-17(19-20-21-24)22-7-8-25-16(11-22)12-23-10-14(2)9-18-23/h3-6,9-10,16H,7-8,11-12H2,1-2H3
InChIKeyGDMSBGWHLYHXGY-UHFFFAOYSA-N
XLogP1.38
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 133281997) is 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is Cc1ccc(-n2nnnc2N2CCOC(Cn3cc(C)cn3)C2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is GDMSBGWHLYHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-13-3-5-15(6-4-13)24-17(19-20-21-24)22-7-8-25-16(11-22)12-23-10-14(2)9-18-23/h3-6,9-10,16H,7-8,11-12H2,1-2H3.
What are the key properties of 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 339.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 133281997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).