4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole

C15H28N6 — CID 160685427

IUPAC4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
SMILESCn1cc(C(C)(C)C)nn1.Cn1cc(CC(C)(C)C)nn1
InChIInChI=1S/C8H15N3.C7H13N3/c1-8(2,3)5-7-6-11(4)10-9-7;1-7(2,3)6-5-10(4)9-8-6/h6H,5H2,1-4H3;5H,1-4H3
InChIKeyRORVEORSQKEJQM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.52
Rot. Bonds1

About 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole

4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole (PubChem CID 160685427) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole.

Molecular Properties

Compound Name4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
PubChem CID160685427
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
SMILESCn1cc(C(C)(C)C)nn1.Cn1cc(CC(C)(C)C)nn1
InChIInChI=1S/C8H15N3.C7H13N3/c1-8(2,3)5-7-6-11(4)10-9-7;1-7(2,3)6-5-10(4)9-8-6/h6H,5H2,1-4H3;5H,1-4H3
InChIKeyRORVEORSQKEJQM-UHFFFAOYSA-N
XLogP2.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
CID 134560662
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
4-[2-(chloromethyl)-2-methylpentyl]-1-methyltriazole
CID 107057943
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
4-tert-butyl-1-(3,3-dimethylbutyl)triazole
CID 90801752
4-[2-hydroxy-1-(1-methyltriazol-4-yl)propan-2-yl]benzonitrile
CID 107046285
ethane;4-ethyl-1-methyltriazole
CID 143593274
2-cyclopropyl-2-methyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057883
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole?
The IUPAC name of 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole (CID 160685427) is 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole.
What is the SMILES notation for 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole?
The canonical SMILES for 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole is Cn1cc(C(C)(C)C)nn1.Cn1cc(CC(C)(C)C)nn1.
What is the InChIKey of 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole?
The InChIKey is RORVEORSQKEJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.C7H13N3/c1-8(2,3)5-7-6-11(4)10-9-7;1-7(2,3)6-5-10(4)9-8-6/h6H,5H2,1-4H3;5H,1-4H3.
What are the key properties of 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole?
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole has a molecular weight of 292.43 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole is sourced from PubChem (CID 160685427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).