(3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine

C14H19N5O — CID 139049571

IUPAC(3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine
SMILESCc1ccc(Cn2nnnc2[C@]2(C)COCCN2)cc1
InChIInChI=1S/C14H19N5O/c1-11-3-5-12(6-4-11)9-19-13(16-17-18-19)14(2)10-20-8-7-15-14/h3-6,15H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyRNWLOAGNQDRWQV-AWEZNQCLSA-N
MW273.34 g/mol
LogP0.86
Rot. Bonds3

About (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine

(3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine (PubChem CID 139049571) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine
PubChem CID139049571
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine
SMILESCc1ccc(Cn2nnnc2[C@]2(C)COCCN2)cc1
InChIInChI=1S/C14H19N5O/c1-11-3-5-12(6-4-11)9-19-13(16-17-18-19)14(2)10-20-8-7-15-14/h3-6,15H,7-10H2,1-2H3/t14-/m0/s1
InChIKeyRNWLOAGNQDRWQV-AWEZNQCLSA-N
XLogP0.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine?
The IUPAC name of (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine (CID 139049571) is (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine is Cc1ccc(Cn2nnnc2[C@]2(C)COCCN2)cc1.
What is the InChIKey of (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine?
The InChIKey is RNWLOAGNQDRWQV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-3-5-12(6-4-11)9-19-13(16-17-18-19)14(2)10-20-8-7-15-14/h3-6,15H,7-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine?
(3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[1-[(4-methylphenyl)methyl]tetrazol-5-yl]morpholine is sourced from PubChem (CID 139049571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).