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

C14H19N5O — CID 114550866

IUPAC4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)cc1-c1nnnn1C1CCC(C)C1
InChIInChI=1S/C14H19N5O/c1-9-3-5-11(7-9)19-14(16-17-18-19)12-8-10(15)4-6-13(12)20-2/h4,6,8-9,11H,3,5,7,15H2,1-2H3
InChIKeyWWXNEZWWDIGCQH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds3

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

4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline (PubChem CID 114550866) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
PubChem CID114550866
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)cc1-c1nnnn1C1CCC(C)C1
InChIInChI=1S/C14H19N5O/c1-9-3-5-11(7-9)19-14(16-17-18-19)12-8-10(15)4-6-13(12)20-2/h4,6,8-9,11H,3,5,7,15H2,1-2H3
InChIKeyWWXNEZWWDIGCQH-UHFFFAOYSA-N
XLogP2.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
CID 63281557
4-[1-(3-methylcyclohexyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61353836
3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]-4-methoxyaniline
CID 79870045
4,5-difluoro-2-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550868
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
3-[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]-4-methylaniline
CID 63998779
3-chloro-4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733486
3-methoxy-4-[1-(2-methylcyclohexyl)tetrazol-5-yl]aniline
CID 104784494
3,4-dichloro-5-[1-(3-methylcyclobutyl)tetrazol-5-yl]aniline
CID 107199675
2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550889
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
CID 61376569

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline (CID 114550866) is 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline is COc1ccc(N)cc1-c1nnnn1C1CCC(C)C1.
What is the InChIKey of 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
The InChIKey is WWXNEZWWDIGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-3-5-11(7-9)19-14(16-17-18-19)12-8-10(15)4-6-13(12)20-2/h4,6,8-9,11H,3,5,7,15H2,1-2H3.
What are the key properties of 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline?
4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline has a molecular weight of 273.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 114550866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).