2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline

C12H16BrN5O — CID 104765158

IUPAC2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
SMILESCC(C)OCCn1nnnc1-c1ccc(Br)c(N)c1
InChIInChI=1S/C12H16BrN5O/c1-8(2)19-6-5-18-12(15-16-17-18)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyXDXRDTLCCXNPQT-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.11
Rot. Bonds5

About 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline

2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline (PubChem CID 104765158) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
PubChem CID104765158
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
SMILESCC(C)OCCn1nnnc1-c1ccc(Br)c(N)c1
InChIInChI=1S/C12H16BrN5O/c1-8(2)19-6-5-18-12(15-16-17-18)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyXDXRDTLCCXNPQT-UHFFFAOYSA-N
XLogP2.11
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765155
4-methyl-2-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline
CID 104765127
5-(1-benzyltetrazol-5-yl)-2-bromoaniline
CID 61354077
2-bromo-5-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79359804
2-bromo-5-[1-(3-cyclopentylpropyl)tetrazol-5-yl]aniline
CID 106010927
2-bromo-5-(1-pentan-2-yltetrazol-5-yl)aniline
CID 61354055
2-bromo-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 62531409
2-bromo-5-[1-[(3-methylcyclopentyl)methyl]tetrazol-5-yl]aniline
CID 107415099
2-bromo-5-[1-(3,3-dimethylbutan-2-yl)tetrazol-5-yl]aniline
CID 104829750
2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
3-chloro-5-[1-(4-propan-2-yloxybutyl)tetrazol-5-yl]aniline
CID 106010846
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline (CID 104765158) is 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline is CC(C)OCCn1nnnc1-c1ccc(Br)c(N)c1.
What is the InChIKey of 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
The InChIKey is XDXRDTLCCXNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-8(2)19-6-5-18-12(15-16-17-18)9-3-4-10(13)11(14)7-9/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline?
2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline has a molecular weight of 326.20 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 104765158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).