1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole

C13H24N6 — CID 161434506

IUPAC1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole
SMILESCC(C)(C)n1cncn1.Cc1ncnn1C(C)(C)C
InChIInChI=1S/C7H13N3.C6H11N3/c1-6-8-5-9-10(6)7(2,3)4;1-6(2,3)9-5-7-4-8-9/h5H,1-4H3;4-5H,1-3H3
InChIKeyVYLRLJGYOLKICP-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.37
Rot. Bonds

About 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole

1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole (PubChem CID 161434506) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole
PubChem CID161434506
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole
SMILESCC(C)(C)n1cncn1.Cc1ncnn1C(C)(C)C
InChIInChI=1S/C7H13N3.C6H11N3/c1-6-8-5-9-10(6)7(2,3)4;1-6(2,3)9-5-7-4-8-9/h5H,1-4H3;4-5H,1-3H3
InChIKeyVYLRLJGYOLKICP-UHFFFAOYSA-N
XLogP2.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-4H-pyrazole;1-tert-butyl-1,2,4-triazole
CID 159959105
2-methyl-2-(1,2,4-triazol-1-yl)propanehydrazide
CID 2764118
1-(2,3,3,4-tetramethylpentan-2-yl)-1,2,4-triazole
CID 170045826
sodium;2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one;hydroxide
CID 140668472
1-tert-butyl-3-methyl-1,2,4-triazole
CID 59693907
1-(3-ethyloctadecan-3-yl)-1,2,4-triazole
CID 161095642
N,3-dimethyl-3-(1,2,4-triazol-1-yl)butan-2-amine
CID 130614573
2-methyl-1-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 3686146
2-pyridin-3-yl-2-(1,2,4-triazol-1-yl)propan-1-amine
CID 82506560
1-tert-butylimidazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;methane
CID 158606239
1-hydroxy-5-methyl-1,2,4-triazole
CID 19822781
2-methyl-2-(1,2,4-triazol-1-yl)decanenitrile
CID 152714978

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole (CID 161434506) is 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole is CC(C)(C)n1cncn1.Cc1ncnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole?
The InChIKey is VYLRLJGYOLKICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C6H11N3/c1-6-8-5-9-10(6)7(2,3)4;1-6(2,3)9-5-7-4-8-9/h5H,1-4H3;4-5H,1-3H3.
What are the key properties of 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole?
1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole has a molecular weight of 264.38 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-1,2,4-triazole;1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 161434506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).