(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine

C11H14N4O — CID 114686850

IUPAC(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCOc1ccc(C(N)c2cnnn2C)cc1
InChIInChI=1S/C11H14N4O/c1-15-10(7-13-14-15)11(12)8-3-5-9(16-2)6-4-8/h3-7,11H,12H2,1-2H3
InChIKeyBADBBNQJUWVGBP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.87
Rot. Bonds3

About (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine

(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine (PubChem CID 114686850) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
PubChem CID114686850
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
SMILESCOc1ccc(C(N)c2cnnn2C)cc1
InChIInChI=1S/C11H14N4O/c1-15-10(7-13-14-15)11(12)8-3-5-9(16-2)6-4-8/h3-7,11H,12H2,1-2H3
InChIKeyBADBBNQJUWVGBP-UHFFFAOYSA-N
XLogP0.87
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 105184703
3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043651
(3,4-difluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686969
3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043353
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
(4-methoxy-3-methylphenyl)-(3-methyltriazol-4-yl)methanol
CID 114684884
(5-amino-1-methylpyrazol-4-yl)-(4-methoxyphenyl)methanol
CID 65362246
(3-methyltriazol-4-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114684715
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(3-methyltriazol-4-yl)-(1,3-thiazol-5-yl)methanamine
CID 114688710

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine (CID 114686850) is (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine is COc1ccc(C(N)c2cnnn2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
The InChIKey is BADBBNQJUWVGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-10(7-13-14-15)11(12)8-3-5-9(16-2)6-4-8/h3-7,11H,12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine?
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114686850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).