2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline

C13H16ClN5 — CID 114550889

IUPAC2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
SMILESCC1CCC(n2nnnc2-c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C13H16ClN5/c1-8-2-4-10(6-8)19-13(16-17-18-19)9-3-5-12(15)11(14)7-9/h3,5,7-8,10H,2,4,6,15H2,1H3
InChIKeyBWYADAFFTFAISH-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.94
Rot. Bonds2

About 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline

2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline (PubChem CID 114550889) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
PubChem CID114550889
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
SMILESCC1CCC(n2nnnc2-c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C13H16ClN5/c1-8-2-4-10(6-8)19-13(16-17-18-19)9-3-5-12(15)11(14)7-9/h3,5,7-8,10H,2,4,6,15H2,1H3
InChIKeyBWYADAFFTFAISH-UHFFFAOYSA-N
XLogP2.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.94
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-4-[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 82779853
2-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline
CID 82779718
4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
CID 64733099
2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61353432
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
4,5-difluoro-2-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550868
4-chloro-2-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733879
4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550866
2-chloro-5-[1-(2-methyloxolan-3-yl)tetrazol-5-yl]aniline
CID 82737556
4-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 61353686
2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
CID 61354472
2-chloro-6-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 115547862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline (CID 114550889) is 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline is CC1CCC(n2nnnc2-c2ccc(N)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
The InChIKey is BWYADAFFTFAISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-8-2-4-10(6-8)19-13(16-17-18-19)9-3-5-12(15)11(14)7-9/h3,5,7-8,10H,2,4,6,15H2,1H3.
What are the key properties of 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline has a molecular weight of 277.76 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 114550889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).