2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline

C13H19N5O2 — CID 61351683

IUPAC2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
SMILESCCCCn1nnnc1-c1cc(OC)c(OC)cc1N
InChIInChI=1S/C13H19N5O2/c1-4-5-6-18-13(15-16-17-18)9-7-11(19-2)12(20-3)8-10(9)14/h7-8H,4-6,14H2,1-3H3
InChIKeyCCONHPKMSRMGLI-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.74
Rot. Bonds6

About 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline

2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline (PubChem CID 61351683) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
PubChem CID61351683
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
SMILESCCCCn1nnnc1-c1cc(OC)c(OC)cc1N
InChIInChI=1S/C13H19N5O2/c1-4-5-6-18-13(15-16-17-18)9-7-11(19-2)12(20-3)8-10(9)14/h7-8H,4-6,14H2,1-3H3
InChIKeyCCONHPKMSRMGLI-UHFFFAOYSA-N
XLogP1.74
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252
3-(1-butyltetrazol-5-yl)-4-methylaniline
CID 61352668
2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline
CID 112606179
3-(1-butyltetrazol-5-yl)-5-methoxyaniline
CID 81091803
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
CID 61352271
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874
5-(1-butyltetrazol-5-yl)-2-methylaniline
CID 61351684
5-bromo-2-methyl-3-(1-pentyltetrazol-5-yl)aniline
CID 107873939
3-(1-butyltetrazol-5-yl)-5-methylaniline
CID 113396325
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326829

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline?
The IUPAC name of 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline (CID 61351683) is 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline is CCCCn1nnnc1-c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline?
The InChIKey is CCONHPKMSRMGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-5-6-18-13(15-16-17-18)9-7-11(19-2)12(20-3)8-10(9)14/h7-8H,4-6,14H2,1-3H3.
What are the key properties of 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline?
2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline has a molecular weight of 277.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline is sourced from PubChem (CID 61351683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).