1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine

C12H17N5O — CID 103084802

IUPAC1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
SMILESCC(C)Oc1ccc(-n2nnnc2C(C)N)cc1
InChIInChI=1S/C12H17N5O/c1-8(2)18-11-6-4-10(5-7-11)17-12(9(3)13)14-15-16-17/h4-9H,13H2,1-3H3
InChIKeyDZRYIOBRLGRTND-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.47
Rot. Bonds4

About 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine

1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103084802) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
PubChem CID103084802
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
SMILESCC(C)Oc1ccc(-n2nnnc2C(C)N)cc1
InChIInChI=1S/C12H17N5O/c1-8(2)18-11-6-4-10(5-7-11)17-12(9(3)13)14-15-16-17/h4-9H,13H2,1-3H3
InChIKeyDZRYIOBRLGRTND-UHFFFAOYSA-N
XLogP1.47
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylsulfonylphenyl)tetrazol-5-yl]ethanamine
CID 103084958
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737935
1-(4-propan-2-yloxyphenyl)-5-propyltriazol-4-amine
CID 79501518
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
1-[1-(4-chloro-3-nitrophenyl)tetrazol-5-yl]ethanamine
CID 82227925
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
5-methyl-4-phenyl-1-(4-propan-2-yloxyphenyl)triazole
CID 13162146
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103085965
1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084917

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine (CID 103084802) is 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine is CC(C)Oc1ccc(-n2nnnc2C(C)N)cc1.
What is the InChIKey of 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is DZRYIOBRLGRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)18-11-6-4-10(5-7-11)17-12(9(3)13)14-15-16-17/h4-9H,13H2,1-3H3.
What are the key properties of 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine?
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103084802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).