3,5-dichloro-4-(tetrazol-1-yl)aniline

C7H5Cl2N5 — CID 53214359

IUPAC3,5-dichloro-4-(tetrazol-1-yl)aniline
SMILESNc1cc(Cl)c(-n2cnnn2)c(Cl)c1
InChIInChI=1S/C7H5Cl2N5/c8-5-1-4(10)2-6(9)7(5)14-3-11-12-13-14/h1-3H,10H2
InChIKeyNXVITDJWKSJJDP-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.55
Rot. Bonds1

About 3,5-dichloro-4-(tetrazol-1-yl)aniline

3,5-dichloro-4-(tetrazol-1-yl)aniline (PubChem CID 53214359) has the molecular formula C7H5Cl2N5 and a molecular weight of 230.06 g/mol. Its IUPAC name is 3,5-dichloro-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(tetrazol-1-yl)aniline
PubChem CID53214359
Molecular FormulaC7H5Cl2N5
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name3,5-dichloro-4-(tetrazol-1-yl)aniline
SMILESNc1cc(Cl)c(-n2cnnn2)c(Cl)c1
InChIInChI=1S/C7H5Cl2N5/c8-5-1-4(10)2-6(9)7(5)14-3-11-12-13-14/h1-3H,10H2
InChIKeyNXVITDJWKSJJDP-UHFFFAOYSA-N
XLogP1.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(tetrazol-1-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(tetrazol-1-yl)aniline (CID 53214359) is 3,5-dichloro-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(tetrazol-1-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(tetrazol-1-yl)aniline is Nc1cc(Cl)c(-n2cnnn2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(tetrazol-1-yl)aniline?
The InChIKey is NXVITDJWKSJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N5/c8-5-1-4(10)2-6(9)7(5)14-3-11-12-13-14/h1-3H,10H2.
What are the key properties of 3,5-dichloro-4-(tetrazol-1-yl)aniline?
3,5-dichloro-4-(tetrazol-1-yl)aniline has a molecular weight of 230.06 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 53214359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).