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

C13H12N6O — CID 66487601

IUPAC4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline
SMILESCOc1ccc(N)cc1-c1n[nH]c(-c2cnccn2)n1
InChIInChI=1S/C13H12N6O/c1-20-11-3-2-8(14)6-9(11)12-17-13(19-18-12)10-7-15-4-5-16-10/h2-7H,14H2,1H3,(H,17,18,19)
InChIKeyOKSNAHUOVKFOQP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.52
Rot. Bonds3

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

4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline (PubChem CID 66487601) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline
PubChem CID66487601
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline
SMILESCOc1ccc(N)cc1-c1n[nH]c(-c2cnccn2)n1
InChIInChI=1S/C13H12N6O/c1-20-11-3-2-8(14)6-9(11)12-17-13(19-18-12)10-7-15-4-5-16-10/h2-7H,14H2,1H3,(H,17,18,19)
InChIKeyOKSNAHUOVKFOQP-UHFFFAOYSA-N
XLogP1.52
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(4-methylpyrimidin-2-yl)aniline
CID 82471257
5-(diethylamino)-2-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)phenol
CID 135429631
4-methoxy-3-(3-phenyl-1H-pyrazol-5-yl)aniline
CID 58195321
2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine
CID 174393307
azane;4-methoxy-3-[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]aniline
CID 67325952
2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 145349648
4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
CID 86668897
3-(1,2,4-benzotriazin-3-yl)-4-methoxyaniline
CID 82481460
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918272
4-methyl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63654751
6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine
CID 101496786

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline (CID 66487601) is 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline is COc1ccc(N)cc1-c1n[nH]c(-c2cnccn2)n1.
What is the InChIKey of 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
The InChIKey is OKSNAHUOVKFOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-20-11-3-2-8(14)6-9(11)12-17-13(19-18-12)10-7-15-4-5-16-10/h2-7H,14H2,1H3,(H,17,18,19).
What are the key properties of 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline?
4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline has a molecular weight of 268.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(5-pyrazin-2-yl-1H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 66487601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).