1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C14H19N5O — CID 115714244

IUPAC1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnnn1-c1ccccc1)C1CCOC1
InChIInChI=1S/C14H19N5O/c1-11(12-7-8-20-10-12)15-9-14-16-17-18-19(14)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3
InChIKeyNPULXGKRQOYNCC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds5

About 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 115714244) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID115714244
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCC(NCc1nnnn1-c1ccccc1)C1CCOC1
InChIInChI=1S/C14H19N5O/c1-11(12-7-8-20-10-12)15-9-14-16-17-18-19(14)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3
InChIKeyNPULXGKRQOYNCC-UHFFFAOYSA-N
XLogP1.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dicyclopropyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 60714049
2-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 102671747
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
N-[(1-phenyltetrazol-5-yl)methyl]morpholin-4-amine
CID 83021922
2-[(3R)-oxan-3-yl]-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 126439740
1-(5-methylfuran-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 60673289
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103777540
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
N-(1H-benzimidazol-2-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655252
1-N,1-N-diethyl-2-N-[(1-phenyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 62627239
1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 103893693
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1-phenyltetrazol-5-amine
CID 42943739

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 115714244) is 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is CC(NCc1nnnn1-c1ccccc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is NPULXGKRQOYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(12-7-8-20-10-12)15-9-14-16-17-18-19(14)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115714244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).