3-phenyl-1-propan-2-yl-1,2,4-triazole

C11H13N3 — CID 141370525

IUPAC3-phenyl-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-9(2)14-8-12-11(13-14)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyXEGUFDMWLJIMKR-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.53
Rot. Bonds2

About 3-phenyl-1-propan-2-yl-1,2,4-triazole

3-phenyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 141370525) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-phenyl-1-propan-2-yl-1,2,4-triazole
PubChem CID141370525
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-phenyl-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnc(-c2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-9(2)14-8-12-11(13-14)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyXEGUFDMWLJIMKR-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-phenyl-1,2,4-triazole
CID 54474328
4-methyl-3-phenyl-1-propan-2-ylpyrazole
CID 123403415
3-(4-bromophenyl)-1-(2-phenylmethoxypentan-3-yl)-1,2,4-triazole
CID 146221580
5-chloro-3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 70372932
2-(difluoromethoxy)-4-(1-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 175969955
3-fluoro-1-propan-2-yl-1,2,4-triazole
CID 170395825
4-phenyl-1,5-di(propan-2-yl)imidazole
CID 167225252
1-methyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 59348213
4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
CID 142646887
3-(4-tert-butylphenyl)-1-(4-phenylphenyl)-1,2,4-triazole
CID 141231494
2-phenylpyrimidine
CID 593578
2-phenyl-1-propan-2-ylimidazole
CID 12997870

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-phenyl-1-propan-2-yl-1,2,4-triazole (CID 141370525) is 3-phenyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-phenyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-phenyl-1-propan-2-yl-1,2,4-triazole is CC(C)n1cnc(-c2ccccc2)n1.
What is the InChIKey of 3-phenyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is XEGUFDMWLJIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9(2)14-8-12-11(13-14)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-yl-1,2,4-triazole?
3-phenyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 187.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 141370525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).