1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole

C26H37N3 — CID 67468757

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)N1
InChIInChI=1S/C26H37N3/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27-28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20,27H,1-8H3
InChIKeySFZAKZOPVYVLAG-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.40
Rot. Bonds6

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

1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole (PubChem CID 67468757) has the molecular formula C26H37N3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
PubChem CID67468757
Molecular FormulaC26H37N3
Molecular Weight391.60 g/mol
Exact Mass391.30
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)N1
InChIInChI=1S/C26H37N3/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27-28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20,27H,1-8H3
InChIKeySFZAKZOPVYVLAG-UHFFFAOYSA-N
XLogP7.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.40
H-Bond Donors ≤ 51
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]-2-ethylimidazolidine
CID 129027447
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanylidene]phosphane
CID 132942700
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
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
3-[2,6-di(propan-2-yl)phenyl]-2-propan-2-yl-1,2-dihydroimidazole;ethane
CID 169110891
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
CID 148740840
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-iodosilyl]-iodosilane
CID 177492697
CID 139249420
CID 139249420
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]-1,3,2-diazaborolidine
CID 102596424

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole (CID 67468757) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)N1.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole?
The InChIKey is SFZAKZOPVYVLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3/c1-17(2)21-11-9-12-22(18(3)4)25(21)28-15-16-29(27-28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20,27H,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole has a molecular weight of 391.60 g/mol, XLogP of 7.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole is sourced from PubChem (CID 67468757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).