2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline

C12H17N5O2 — CID 112606179

IUPAC2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline
SMILESCCCn1nnnc1-c1cc(OC)cc(OC)c1N
InChIInChI=1S/C12H17N5O2/c1-4-5-17-12(14-15-16-17)9-6-8(18-2)7-10(19-3)11(9)13/h6-7H,4-5,13H2,1-3H3
InChIKeyONTDNFGTWUFFFE-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.35
Rot. Bonds5

About 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline

2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline (PubChem CID 112606179) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline
PubChem CID112606179
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline
SMILESCCCn1nnnc1-c1cc(OC)cc(OC)c1N
InChIInChI=1S/C12H17N5O2/c1-4-5-17-12(14-15-16-17)9-6-8(18-2)7-10(19-3)11(9)13/h6-7H,4-5,13H2,1-3H3
InChIKeyONTDNFGTWUFFFE-UHFFFAOYSA-N
XLogP1.35
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.35
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

2-(1-butyltetrazol-5-yl)-4,5-dimethoxyaniline
CID 61351683
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
3-methoxy-2-(1-propyltetrazol-5-yl)aniline
CID 81413821
3-methoxy-4-[1-(2-methoxyethyl)tetrazol-5-yl]aniline
CID 104784496
3-(1-butyltetrazol-5-yl)-5-methoxyaniline
CID 81091803
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326829
4-methoxy-3-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 63227252
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
3-[1-(2-methoxyethyl)tetrazol-5-yl]-4-methylaniline
CID 61377000
4-amino-6-(2,5-dimethoxyphenyl)-2-propylpyridazin-3-one
CID 82467566
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]ethanamine
CID 83558388

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline?
The IUPAC name of 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline (CID 112606179) is 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline.
What is the SMILES notation for 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline?
The canonical SMILES for 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline is CCCn1nnnc1-c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline?
The InChIKey is ONTDNFGTWUFFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-5-17-12(14-15-16-17)9-6-8(18-2)7-10(19-3)11(9)13/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline?
2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline has a molecular weight of 263.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(1-propyltetrazol-5-yl)aniline is sourced from PubChem (CID 112606179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).