2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline

C14H19Cl2N5 — CID 65038548

IUPAC2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
SMILESCCC(CC)(CC)n1nnnc1-c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N5/c1-4-14(5-2,6-3)21-13(18-19-20-21)9-7-10(15)12(16)11(17)8-9/h7-8H,4-6,17H2,1-3H3
InChIKeyHWORGCDPZOWBKB-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.15
Rot. Bonds5

About 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline

2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline (PubChem CID 65038548) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
PubChem CID65038548
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC Name2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
SMILESCCC(CC)(CC)n1nnnc1-c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N5/c1-4-14(5-2,6-3)21-13(18-19-20-21)9-7-10(15)12(16)11(17)8-9/h7-8H,4-6,17H2,1-3H3
InChIKeyHWORGCDPZOWBKB-UHFFFAOYSA-N
XLogP4.15
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-5-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 55108765
2,3-dichloro-5-[1-(3,3-dimethylbutan-2-yl)tetrazol-5-yl]aniline
CID 104829748
3-chloro-4-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
CID 65038854
2,3-dichloro-5-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61377975
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376804
2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
CID 61354472
2,3-dichloro-5-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]aniline
CID 64641722
3-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 65039057
3-fluoro-5-[1-(3-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 106330339
2-chloro-5-[1-(2,3-dimethylbutyl)tetrazol-5-yl]aniline
CID 64599264
2-[5-(3-chloro-4-iodophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 103213493
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline?
The IUPAC name of 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline (CID 65038548) is 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline is CCC(CC)(CC)n1nnnc1-c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline?
The InChIKey is HWORGCDPZOWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N5/c1-4-14(5-2,6-3)21-13(18-19-20-21)9-7-10(15)12(16)11(17)8-9/h7-8H,4-6,17H2,1-3H3.
What are the key properties of 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline?
2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline has a molecular weight of 328.25 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline is sourced from PubChem (CID 65038548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).