4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine

C19H22N6O2 — CID 651197

IUPAC4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine
SMILESCOc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1
InChIInChI=1S/C19H22N6O2/c1-26-17-4-2-15(3-5-17)14-25-19(21-22-23-25)18(16-6-8-20-9-7-16)24-10-12-27-13-11-24/h2-9,18H,10-14H2,1H3
InChIKeyJGFYGFHNRHIBEI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.55
Rot. Bonds6

About 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine

4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine (PubChem CID 651197) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine
PubChem CID651197
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine
SMILESCOc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1
InChIInChI=1S/C19H22N6O2/c1-26-17-4-2-15(3-5-17)14-25-19(21-22-23-25)18(16-6-8-20-9-7-16)24-10-12-27-13-11-24/h2-9,18H,10-14H2,1H3
InChIKeyJGFYGFHNRHIBEI-UHFFFAOYSA-N
XLogP1.55
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine?
The IUPAC name of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine (CID 651197) is 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine?
The canonical SMILES for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine is COc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine?
The InChIKey is JGFYGFHNRHIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-26-17-4-2-15(3-5-17)14-25-19(21-22-23-25)18(16-6-8-20-9-7-16)24-10-12-27-13-11-24/h2-9,18H,10-14H2,1H3.
What are the key properties of 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine?
4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine has a molecular weight of 366.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyridin-4-ylmethyl]morpholine is sourced from PubChem (CID 651197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).