2-(3-methoxyphenyl)triazol-4-amine

C9H10N4O — CID 82404083

IUPAC2-(3-methoxyphenyl)triazol-4-amine
SMILESCOc1cccc(-n2ncc(N)n2)c1
InChIInChI=1S/C9H10N4O/c1-14-8-4-2-3-7(5-8)13-11-6-9(10)12-13/h2-6H,1H3,(H2,10,12)
InChIKeyRIUOWPRFQFBTSF-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.86
Rot. Bonds2

About 2-(3-methoxyphenyl)triazol-4-amine

2-(3-methoxyphenyl)triazol-4-amine (PubChem CID 82404083) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)triazol-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)triazol-4-amine
PubChem CID82404083
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-(3-methoxyphenyl)triazol-4-amine
SMILESCOc1cccc(-n2ncc(N)n2)c1
InChIInChI=1S/C9H10N4O/c1-14-8-4-2-3-7(5-8)13-11-6-9(10)12-13/h2-6H,1H3,(H2,10,12)
InChIKeyRIUOWPRFQFBTSF-UHFFFAOYSA-N
XLogP0.86
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methoxymethyl)phenyl]triazol-4-amine
CID 116799278
3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774635
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 17455113
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226
2-(4-aminotriazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112529631
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
CID 172849383
CID 172849383
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)triazol-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)triazol-4-amine (CID 82404083) is 2-(3-methoxyphenyl)triazol-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)triazol-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)triazol-4-amine is COc1cccc(-n2ncc(N)n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)triazol-4-amine?
The InChIKey is RIUOWPRFQFBTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-8-4-2-3-7(5-8)13-11-6-9(10)12-13/h2-6H,1H3,(H2,10,12).
What are the key properties of 2-(3-methoxyphenyl)triazol-4-amine?
2-(3-methoxyphenyl)triazol-4-amine has a molecular weight of 190.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)triazol-4-amine is sourced from PubChem (CID 82404083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).