5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole

C16H15N3O — CID 155818568

IUPAC5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESCc1nc(-c2ccccc2OCc2ccccc2)n[nH]1
InChIInChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyNPTNHLPXAAOUPO-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.36
Rot. Bonds4

About 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole

5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole (PubChem CID 155818568) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole
PubChem CID155818568
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole
SMILESCc1nc(-c2ccccc2OCc2ccccc2)n[nH]1
InChIInChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)
InChIKeyNPTNHLPXAAOUPO-UHFFFAOYSA-N
XLogP3.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
Diphenytriazol
CID 122000
5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
3-methylsulfanyl-5-[(2-phenoxyphenyl)methyl]-1H-1,2,4-triazole
CID 76321723
5-[(2-phenoxyphenyl)methyl]-3-propylsulfanyl-1H-1,2,4-triazole
CID 76336171
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
3-(3-methoxyphenyl)-5-phenyl-1H-1,2,4-triazole
CID 61343280
(E)-2-[[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512002
(E)-2-[[4-[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512009
(E)-3-fluoro-2-[[4-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 146512013

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole (CID 155818568) is 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole is Cc1nc(-c2ccccc2OCc2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is NPTNHLPXAAOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19).
What are the key properties of 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole?
5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 265.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenylmethoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 155818568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).