1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole

C15H21N3 — CID 134965969

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole
SMILESCc1ncn(-c2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C15H21N3/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-9-16-12(5)17-18/h6-11H,1-5H3
InChIKeyMBPAIXIRKCMYEO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.82
Rot. Bonds3

About 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole (PubChem CID 134965969) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole
PubChem CID134965969
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole
SMILESCc1ncn(-c2c(C(C)C)cccc2C(C)C)n1
InChIInChI=1S/C15H21N3/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-9-16-12(5)17-18/h6-11H,1-5H3
InChIKeyMBPAIXIRKCMYEO-UHFFFAOYSA-N
XLogP3.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
[1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethylimidazol-2-ylidene]copper
CID 177472224
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
CID 177388074
CID 177388074
1-(2-iodophenyl)-3-methyl-1,2,4-triazole
CID 166607417
2,4,6-trichloro-1,3,5-tris[2,6-di(propan-2-yl)phenyl]-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 101370288
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
CID 102228013

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole (CID 134965969) is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole is Cc1ncn(-c2c(C(C)C)cccc2C(C)C)n1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole?
The InChIKey is MBPAIXIRKCMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)13-7-6-8-14(11(3)4)15(13)18-9-16-12(5)17-18/h6-11H,1-5H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole?
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole has a molecular weight of 243.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 134965969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).