4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol

C14H19N5O2 — CID 81133605

IUPAC4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2nnnn2-c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O2/c20-14(6-8-21-9-7-14)11-15-10-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-5,15,20H,6-11H2
InChIKeyGQSKHDGFWQDYMY-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.29
Rot. Bonds5

About 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol

4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81133605) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol
PubChem CID81133605
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2nnnn2-c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O2/c20-14(6-8-21-9-7-14)11-15-10-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-5,15,20H,6-11H2
InChIKeyGQSKHDGFWQDYMY-UHFFFAOYSA-N
XLogP0.29
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
[4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine
CID 62906770
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62720099
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
4-[(1-phenyltetrazol-5-yl)methylamino]butanamide
CID 62626871
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol (CID 81133605) is 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol is OC1(CNCc2nnnn2-c2ccccc2)CCOCC1.
What is the InChIKey of 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is GQSKHDGFWQDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-14(6-8-21-9-7-14)11-15-10-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-5,15,20H,6-11H2.
What are the key properties of 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol?
4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 289.34 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81133605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).