3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole

C12H13N3 — CID 122164614

IUPAC3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
SMILESCc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C12H13N3/c1-9-13-14-12(10-7-8-10)15(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeyNNSGFXSZQIRXDG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.45
Rot. Bonds2

About 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole

3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole (PubChem CID 122164614) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
PubChem CID122164614
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
SMILESCc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C12H13N3/c1-9-13-14-12(10-7-8-10)15(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeyNNSGFXSZQIRXDG-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole (CID 122164614) is 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole is Cc1nnc(C2CC2)n1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole?
The InChIKey is NNSGFXSZQIRXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-13-14-12(10-7-8-10)15(9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole?
3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole has a molecular weight of 199.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 122164614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).