3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline

C12H15Cl2N5O2 — CID 107199505

IUPAC3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline
SMILESCOCCOCCn1nnnc1-c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2N5O2/c1-20-4-5-21-3-2-19-12(16-17-18-19)9-6-8(15)7-10(13)11(9)14/h6-7H,2-5,15H2,1H3
InChIKeyJGOWIRYDIGQUOO-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.89
Rot. Bonds7

About 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline

3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline (PubChem CID 107199505) has the molecular formula C12H15Cl2N5O2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline
PubChem CID107199505
Molecular FormulaC12H15Cl2N5O2
Molecular Weight332.19 g/mol
Exact Mass331.06
IUPAC Name3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline
SMILESCOCCOCCn1nnnc1-c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2N5O2/c1-20-4-5-21-3-2-19-12(16-17-18-19)9-6-8(15)7-10(13)11(9)14/h6-7H,2-5,15H2,1H3
InChIKeyJGOWIRYDIGQUOO-UHFFFAOYSA-N
XLogP1.89
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
CID 61377000
3-chloro-4-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946634
1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
CID 79506222
3-chloro-4-[1-(3-ethoxypropyl)tetrazol-5-yl]aniline
CID 61377370
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
4-chloro-3-(1-pentyltetrazol-5-yl)aniline
CID 61353076
3-chloro-2-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 63663648
4-methyl-3-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82946463
4-fluoro-3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]aniline
CID 63828650
3,4-dichloro-5-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 107199619
3,4-dichloro-5-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]aniline
CID 107199568
3,4-dichloro-5-[1-(3-methylcyclobutyl)tetrazol-5-yl]aniline
CID 107199675

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline?
The IUPAC name of 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline (CID 107199505) is 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline?
The canonical SMILES for 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline is COCCOCCn1nnnc1-c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline?
The InChIKey is JGOWIRYDIGQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5O2/c1-20-4-5-21-3-2-19-12(16-17-18-19)9-6-8(15)7-10(13)11(9)14/h6-7H,2-5,15H2,1H3.
What are the key properties of 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline?
3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline has a molecular weight of 332.19 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-[1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 107199505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).