ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole

C12H18N4O — CID 178128816

IUPACethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
SMILESCC.COC(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H12N4O.C2H6/c1-15-9(10-11-13-14-12-10)7-8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,11,12,13,14);1-2H3
InChIKeyKSNCPNDTALETBC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.16
Rot. Bonds4

About ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole

ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole (PubChem CID 178128816) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole.

Molecular Properties

Compound Nameethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
PubChem CID178128816
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Nameethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
SMILESCC.COC(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H12N4O.C2H6/c1-15-9(10-11-13-14-12-10)7-8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,11,12,13,14);1-2H3
InChIKeyKSNCPNDTALETBC-UHFFFAOYSA-N
XLogP2.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
5-[1-ethoxy-2-(3-phenylmethoxyphenyl)ethyl]-2H-tetrazole
CID 68826237
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
CID 175117107
1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-1-(2H-tetrazol-5-yl)propyl] acetate
CID 155764886
5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole
CID 160520580
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
ethane;5-[(2S)-1-(4-phenylphenyl)propan-2-yl]-2H-tetrazole;(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 158292765
(1-methoxy-2-phenylethyl)-trimethylstannane
CID 121014115
2-oxo-N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]butanamide
CID 70868647
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
CID 175120108
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803

Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole?
The IUPAC name of ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole (CID 178128816) is ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole.
What is the SMILES notation for ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole?
The canonical SMILES for ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole is CC.COC(Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole?
The InChIKey is KSNCPNDTALETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.C2H6/c1-15-9(10-11-13-14-12-10)7-8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,11,12,13,14);1-2H3.
What are the key properties of ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole?
ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole has a molecular weight of 234.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole is sourced from PubChem (CID 178128816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).