4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline

C13H19N5O — CID 61378324

IUPAC4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
SMILESCCC(CC)n1nnnc1-c1cc(N)ccc1OC
InChIInChI=1S/C13H19N5O/c1-4-10(5-2)18-13(15-16-17-18)11-8-9(14)6-7-12(11)19-3/h6-8,10H,4-5,14H2,1-3H3
InChIKeyYGEBBKNAGYCBPG-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.29
Rot. Bonds5

About 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline

4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline (PubChem CID 61378324) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
PubChem CID61378324
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline
SMILESCCC(CC)n1nnnc1-c1cc(N)ccc1OC
InChIInChI=1S/C13H19N5O/c1-4-10(5-2)18-13(15-16-17-18)11-8-9(14)6-7-12(11)19-3/h6-8,10H,4-5,14H2,1-3H3
InChIKeyYGEBBKNAGYCBPG-UHFFFAOYSA-N
XLogP2.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
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

4,5-dimethoxy-2-(1-pentan-3-yltetrazol-5-yl)aniline
CID 61377736
3-methoxy-4-[1-(1-methoxypentan-2-yl)tetrazol-5-yl]aniline
CID 104784596
4-methoxy-3-(1-methyltetrazol-5-yl)aniline
CID 61352259
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
4-methoxy-3-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227252
4-methoxy-3-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 61376228
2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
CID 102706313
4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 61470520
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
3-methoxy-4-[1-(2-methylbutan-2-yl)tetrazol-5-yl]aniline
CID 104784484
4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550866
4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
CID 63281557

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline?
The IUPAC name of 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline (CID 61378324) is 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline?
The canonical SMILES for 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline is CCC(CC)n1nnnc1-c1cc(N)ccc1OC.
What is the InChIKey of 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline?
The InChIKey is YGEBBKNAGYCBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-10(5-2)18-13(15-16-17-18)11-8-9(14)6-7-12(11)19-3/h6-8,10H,4-5,14H2,1-3H3.
What are the key properties of 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline?
4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline has a molecular weight of 261.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-pentan-3-yltetrazol-5-yl)aniline is sourced from PubChem (CID 61378324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).