4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium

C18H21N6O+ — CID 6985836

IUPAC4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium
SMILESc1ccc(Cn2nnnc2[C@@H](c2ccccn2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H20N6O/c1-2-6-15(7-3-1)14-24-18(20-21-22-24)17(16-8-4-5-9-19-16)23-10-12-25-13-11-23/h1-9,17H,10-14H2/p+1/t17-/m1/s1
InChIKeyFHKBKRMBFJGFDL-QGZVFWFLSA-O
MW337.41 g/mol
LogP0.12
Rot. Bonds5

About 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium

4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium (PubChem CID 6985836) has the molecular formula C18H21N6O+ and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium
PubChem CID6985836
Molecular FormulaC18H21N6O+
Molecular Weight337.41 g/mol
Exact Mass337.18
IUPAC Name4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium
SMILESc1ccc(Cn2nnnc2[C@@H](c2ccccn2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H20N6O/c1-2-6-15(7-3-1)14-24-18(20-21-22-24)17(16-8-4-5-9-19-16)23-10-12-25-13-11-23/h1-9,17H,10-14H2/p+1/t17-/m1/s1
InChIKeyFHKBKRMBFJGFDL-QGZVFWFLSA-O
XLogP0.12
TPSA70.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(S)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140876
4-[(R)-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-(1-benzyltetrazol-5-yl)methyl]morpholin-4-ium
CID 6986164
1-[(R)-(1-benzyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium
CID 7436538
1-[(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
CID 3229108
1-[(S)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]-2,3-dihydroindole
CID 1435448
2-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7382947
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985792
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
1-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383091
1-[(S)-(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7396384
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985788
4-[(R)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250840

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium?
The IUPAC name of 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium (CID 6985836) is 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium.
What is the SMILES notation for 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium?
The canonical SMILES for 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium is c1ccc(Cn2nnnc2[C@@H](c2ccccn2)[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium?
The InChIKey is FHKBKRMBFJGFDL-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H20N6O/c1-2-6-15(7-3-1)14-24-18(20-21-22-24)17(16-8-4-5-9-19-16)23-10-12-25-13-11-23/h1-9,17H,10-14H2/p+1/t17-/m1/s1.
What are the key properties of 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium?
4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium has a molecular weight of 337.41 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(1-benzyltetrazol-5-yl)-pyridin-2-ylmethyl]morpholin-4-ium is sourced from PubChem (CID 6985836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).