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

C14H11Cl2N5 — CID 61376804

IUPAC2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cc(N)c(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2N5/c1-8-3-2-4-10(5-8)21-14(18-19-20-21)9-6-11(15)13(16)12(17)7-9/h2-7H,17H2,1H3
InChIKeyCCFXTHXREMQXNC-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.53
Rot. Bonds2

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

2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61376804) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61376804
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cc(N)c(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2N5/c1-8-3-2-4-10(5-8)21-14(18-19-20-21)9-6-11(15)13(16)12(17)7-9/h2-7H,17H2,1H3
InChIKeyCCFXTHXREMQXNC-UHFFFAOYSA-N
XLogP3.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.53
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-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
5-(4-tert-butylphenyl)-1-(3-methylphenyl)tetrazole
CID 829550
2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
CID 65038548
2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
CID 61378528
4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376405
2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779532
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
iridium;1-(3-methylphenyl)-5-phenyltetrazole
CID 59661501
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline (CID 61376804) is 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline is Cc1cccc(-n2nnnc2-c2cc(N)c(Cl)c(Cl)c2)c1.
What is the InChIKey of 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is CCFXTHXREMQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-8-3-2-4-10(5-8)21-14(18-19-20-21)9-6-11(15)13(16)12(17)7-9/h2-7H,17H2,1H3.
What are the key properties of 2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 320.18 g/mol, XLogP of 3.53, 2 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-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61376804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).