5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole

C10H13N3O — CID 163455076

IUPAC5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole
SMILESCOc1ccc(C2=NCN(C)N2)cc1
InChIInChI=1S/C10H13N3O/c1-13-7-11-10(12-13)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyBJTJOSHKJHYORD-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.85
Rot. Bonds2

About 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole

5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole (PubChem CID 163455076) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole
PubChem CID163455076
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole
SMILESCOc1ccc(C2=NCN(C)N2)cc1
InChIInChI=1S/C10H13N3O/c1-13-7-11-10(12-13)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyBJTJOSHKJHYORD-UHFFFAOYSA-N
XLogP0.85
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4101323
CID 102206658
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2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
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4,5-bis(4-methoxyphenyl)-2H-triazole
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N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine
CID 166559337
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
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CID 19098652
5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole (CID 163455076) is 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole is COc1ccc(C2=NCN(C)N2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole?
The InChIKey is BJTJOSHKJHYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-7-11-10(12-13)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole?
5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole has a molecular weight of 191.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-1,3-dihydro-1,2,4-triazole is sourced from PubChem (CID 163455076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).