4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline

C12H16N4O — CID 115412368

IUPAC4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCCCc1nc(-c2cc(OC)ccc2N)n[nH]1
InChIInChI=1S/C12H16N4O/c1-3-4-11-14-12(16-15-11)9-7-8(17-2)5-6-10(9)13/h5-7H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyBTDWVDSPUALCGR-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.02
Rot. Bonds4

About 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline

4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 115412368) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID115412368
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
SMILESCCCc1nc(-c2cc(OC)ccc2N)n[nH]1
InChIInChI=1S/C12H16N4O/c1-3-4-11-14-12(16-15-11)9-7-8(17-2)5-6-10(9)13/h5-7H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyBTDWVDSPUALCGR-UHFFFAOYSA-N
XLogP2.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-propyl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)aniline
CID 66270477
2-methyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61339107
5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
CID 61336925
3-chloro-4-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 61399022
3,4-dimethyl-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 63019647
4-methoxy-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 115411779
5-(5-propyl-1H-1,2,4-triazol-3-yl)benzene-1,3-diamine
CID 107811826
5-methoxy-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 80502813
2-bromo-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814436
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-nitroaniline
CID 61279765
3-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole
CID 24657718
5-(5-propyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
CID 61337366

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline (CID 115412368) is 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline is CCCc1nc(-c2cc(OC)ccc2N)n[nH]1.
What is the InChIKey of 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is BTDWVDSPUALCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-4-11-14-12(16-15-11)9-7-8(17-2)5-6-10(9)13/h5-7H,3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline?
4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 232.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-propyl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 115412368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).