1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole

C12H23N3 — CID 18710274

IUPAC1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole
SMILESCC(C)C(C)(Cn1cncn1)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-10(2)12(6,11(3,4)5)7-15-9-13-8-14-15/h8-10H,7H2,1-6H3
InChIKeyGBJMEHKLPVSABL-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.99
Rot. Bonds3

About 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole

1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole (PubChem CID 18710274) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole
PubChem CID18710274
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole
SMILESCC(C)C(C)(Cn1cncn1)C(C)(C)C
InChIInChI=1S/C12H23N3/c1-10(2)12(6,11(3,4)5)7-15-9-13-8-14-15/h8-10H,7H2,1-6H3
InChIKeyGBJMEHKLPVSABL-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole?
The IUPAC name of 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole (CID 18710274) is 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole is CC(C)C(C)(Cn1cncn1)C(C)(C)C.
What is the InChIKey of 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole?
The InChIKey is GBJMEHKLPVSABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)12(6,11(3,4)5)7-15-9-13-8-14-15/h8-10H,7H2,1-6H3.
What are the key properties of 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole?
1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole has a molecular weight of 209.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethyl-2-propan-2-ylbutyl)-1,2,4-triazole is sourced from PubChem (CID 18710274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).