5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline

C12H16ClN5 — CID 61376438

IUPAC5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline
SMILESCC(C)(C)Cn1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C12H16ClN5/c1-12(2,3)7-18-11(15-16-17-18)9-5-4-8(13)6-10(9)14/h4-6H,7,14H2,1-3H3
InChIKeyCANRMGCVWGIHAL-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.62
Rot. Bonds2

About 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline

5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline (PubChem CID 61376438) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline
PubChem CID61376438
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline
SMILESCC(C)(C)Cn1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C12H16ClN5/c1-12(2,3)7-18-11(15-16-17-18)9-5-4-8(13)6-10(9)14/h4-6H,7,14H2,1-3H3
InChIKeyCANRMGCVWGIHAL-UHFFFAOYSA-N
XLogP2.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.62
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

5-chloro-2-[1-(2-ethoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 114943984
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252
5-chloro-2-[1-(cyclopropylmethyl)tetrazol-5-yl]aniline
CID 61351853
4-chloro-2-[1-(2-methoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 104765192
3-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-4-methylaniline
CID 61377800
4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61352878
2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-3-methylaniline
CID 61377038
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
CID 61352846
4-chloro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907782
4-chloro-2-[1-(3-methylbutyl)tetrazol-5-yl]aniline
CID 61351688
5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
CID 61376790

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline (CID 61376438) is 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline is CC(C)(C)Cn1nnnc1-c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline?
The InChIKey is CANRMGCVWGIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-12(2,3)7-18-11(15-16-17-18)9-5-4-8(13)6-10(9)14/h4-6H,7,14H2,1-3H3.
What are the key properties of 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline?
5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline has a molecular weight of 265.75 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61376438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).