5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole

C15H28N4 — CID 167247243

IUPAC5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CC(C)(C)CN1CC(C(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-14(2,3)12-8-19(9-12)10-15(4,5)7-13-16-11-17-18(13)6/h11-12H,7-10H2,1-6H3
InChIKeyTXLRGZGWIIOPJA-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.36
Rot. Bonds4

About 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole

5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole (PubChem CID 167247243) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole
PubChem CID167247243
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CC(C)(C)CN1CC(C(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-14(2,3)12-8-19(9-12)10-15(4,5)7-13-16-11-17-18(13)6/h11-12H,7-10H2,1-6H3
InChIKeyTXLRGZGWIIOPJA-UHFFFAOYSA-N
XLogP2.36
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole (CID 167247243) is 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole is Cn1ncnc1CC(C)(C)CN1CC(C(C)(C)C)C1.
What is the InChIKey of 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole?
The InChIKey is TXLRGZGWIIOPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-14(2,3)12-8-19(9-12)10-15(4,5)7-13-16-11-17-18(13)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole?
5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole has a molecular weight of 264.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-tert-butylazetidin-1-yl)-2,2-dimethylpropyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 167247243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).