4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine

C18H20N6O — CID 648580

IUPAC4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
SMILESc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1
InChIInChI=1S/C18H20N6O/c1-2-4-15(5-3-1)14-24-18(20-21-22-24)17(16-6-8-19-9-7-16)23-10-12-25-13-11-23/h1-9,17H,10-14H2
InChIKeyGEJSLLHIDFPQQJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.54
Rot. Bonds5

About 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine

4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine (PubChem CID 648580) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
PubChem CID648580
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
SMILESc1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1
InChIInChI=1S/C18H20N6O/c1-2-4-15(5-3-1)14-24-18(20-21-22-24)17(16-6-8-19-9-7-16)23-10-12-25-13-11-23/h1-9,17H,10-14H2
InChIKeyGEJSLLHIDFPQQJ-UHFFFAOYSA-N
XLogP1.54
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1446160
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
4-[(R)-(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]morpholine
CID 1435614
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
4-[(S)-phenyl-[1-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]tetrazol-5-yl]methyl]morpholine
CID 95047119
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
CID 1446149
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[(1-benzyltetrazol-5-yl)-pyridin-3-ylmethyl]-4-methylpiperazine;deuteriomethane
CID 167557248
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
3-[(R)-(1-benzyltetrazol-5-yl)-morpholin-4-ylmethyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1149270

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
The IUPAC name of 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine (CID 648580) is 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine.
What is the SMILES notation for 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
The canonical SMILES for 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine is c1ccc(Cn2nnnc2C(c2ccncc2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
The InChIKey is GEJSLLHIDFPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-4-15(5-3-1)14-24-18(20-21-22-24)17(16-6-8-19-9-7-16)23-10-12-25-13-11-23/h1-9,17H,10-14H2.
What are the key properties of 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine?
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine has a molecular weight of 336.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine is sourced from PubChem (CID 648580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).