5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole

C11H21N3 — CID 58157944

IUPAC5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1ncnc1CC(C)(C)C
InChIInChI=1S/C11H21N3/c1-9(2)7-14-10(12-8-13-14)6-11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyFWNXTHCDLARNFZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.52
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole

5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole (PubChem CID 58157944) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
PubChem CID58157944
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1ncnc1CC(C)(C)C
InChIInChI=1S/C11H21N3/c1-9(2)7-14-10(12-8-13-14)6-11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyFWNXTHCDLARNFZ-UHFFFAOYSA-N
XLogP2.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 66060167
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636
2-methyl-1-(methylamino)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66040076
1-(tert-butylamino)-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66040131
2-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-ol
CID 66023702
5,5-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-amine
CID 114211589
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-phenylpropane-1,3-diol
CID 79444206
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 83150659
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
2-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-2-amine
CID 115970075
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-ol
CID 115814294
2-benzyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 79013748

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole (CID 58157944) is 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1ncnc1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is FWNXTHCDLARNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)7-14-10(12-8-13-14)6-11(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole?
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 195.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 58157944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).