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

C14H19N5O — CID 62906770

IUPAC[4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine
SMILESNCC1(Cc2nnnn2-c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O/c15-11-14(6-8-20-9-7-14)10-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKeyXHLDQPLERAJDSX-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds4

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

[4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine (PubChem CID 62906770) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine
PubChem CID62906770
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine
SMILESNCC1(Cc2nnnn2-c2ccccc2)CCOCC1
InChIInChI=1S/C14H19N5O/c15-11-14(6-8-20-9-7-14)10-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-5H,6-11,15H2
InChIKeyXHLDQPLERAJDSX-UHFFFAOYSA-N
XLogP0.96
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(1-phenyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62720099
4-[[(1-phenyltetrazol-5-yl)methylamino]methyl]oxan-4-ol
CID 81133605
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
1-[[(1-phenyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 65108941
5-[2-(2-methyloxiran-2-yl)ethyl]-1-phenyltetrazole
CID 87852403
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 133400034
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715

Frequently Asked Questions

What is the IUPAC name of [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine (CID 62906770) is [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine is NCC1(Cc2nnnn2-c2ccccc2)CCOCC1.
What is the InChIKey of [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is XHLDQPLERAJDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-11-14(6-8-20-9-7-14)10-13-16-17-18-19(13)12-4-2-1-3-5-12/h1-5H,6-11,15H2.
What are the key properties of [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine?
[4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-phenyltetrazol-5-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62906770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).