1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol

C13H19N5O2 — CID 115475590

IUPAC1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCOCCNCC(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H19N5O2/c1-20-8-7-14-9-12(19)10-18-16-13(15-17-18)11-5-3-2-4-6-11/h2-6,12,14,19H,7-10H2,1H3
InChIKeyVCWUTVYLGPNROA-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.06
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol

1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol (PubChem CID 115475590) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
PubChem CID115475590
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
SMILESCOCCNCC(O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H19N5O2/c1-20-8-7-14-9-12(19)10-18-16-13(15-17-18)11-5-3-2-4-6-11/h2-6,12,14,19H,7-10H2,1H3
InChIKeyVCWUTVYLGPNROA-UHFFFAOYSA-N
XLogP-0.06
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 51094188
(2R)-1-(4-methoxyphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94817374
1-(2,6-dimethylmorpholin-4-yl)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 56799359
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
CID 8684817
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol (CID 115475590) is 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol is COCCNCC(O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
The InChIKey is VCWUTVYLGPNROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-20-8-7-14-9-12(19)10-18-16-13(15-17-18)11-5-3-2-4-6-11/h2-6,12,14,19H,7-10H2,1H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol?
1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol has a molecular weight of 277.33 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 115475590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).