2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole

C10H13N3 — CID 23272349

IUPAC2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole
SMILESCC1=NC(c2ccccc2)N(C)N1
InChIInChI=1S/C10H13N3/c1-8-11-10(13(2)12-8)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,11,12)
InChIKeyZKDYCKYYYBQHNO-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.55
Rot. Bonds1

About 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole

2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole (PubChem CID 23272349) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole
PubChem CID23272349
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole
SMILESCC1=NC(c2ccccc2)N(C)N1
InChIInChI=1S/C10H13N3/c1-8-11-10(13(2)12-8)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,11,12)
InChIKeyZKDYCKYYYBQHNO-UHFFFAOYSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole?
The IUPAC name of 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole (CID 23272349) is 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole?
The canonical SMILES for 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole is CC1=NC(c2ccccc2)N(C)N1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole?
The InChIKey is ZKDYCKYYYBQHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-11-10(13(2)12-8)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,11,12).
What are the key properties of 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole?
2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole has a molecular weight of 175.23 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-1,3-dihydro-1,2,4-triazole is sourced from PubChem (CID 23272349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).