4-methyl-1-(3-methylbutan-2-yl)triazole

C8H15N3 — CID 58125139

IUPAC4-methyl-1-(3-methylbutan-2-yl)triazole
SMILESCc1cn(C(C)C(C)C)nn1
InChIInChI=1S/C8H15N3/c1-6(2)8(4)11-5-7(3)9-10-11/h5-6,8H,1-4H3
InChIKeyDFUTVKWHXAUHKS-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.80
Rot. Bonds2

About 4-methyl-1-(3-methylbutan-2-yl)triazole

4-methyl-1-(3-methylbutan-2-yl)triazole (PubChem CID 58125139) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutan-2-yl)triazole.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutan-2-yl)triazole
PubChem CID58125139
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-methyl-1-(3-methylbutan-2-yl)triazole
SMILESCc1cn(C(C)C(C)C)nn1
InChIInChI=1S/C8H15N3/c1-6(2)8(4)11-5-7(3)9-10-11/h5-6,8H,1-4H3
InChIKeyDFUTVKWHXAUHKS-UHFFFAOYSA-N
XLogP1.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-pentan-3-yltriazole
CID 91565163
1-(4-methyltriazol-1-yl)ethanone
CID 119096452
3-[4-(1-bromoethyl)triazol-1-yl]butan-2-ol
CID 130567128
1-ethyl-4-methyltriazole
CID 58612101
1-(3-methylbutan-2-yl)-4-[4-methyl-5-[4-(2-methylpropyl)triazol-1-yl]pentyl]triazole
CID 166645101
4-methyl-1-(2-methylcyclopropyl)triazole
CID 170086672
1-butan-2-yltriazol-4-amine
CID 79530660
4-chloro-1-(3-methylbutan-2-yl)pyrazol-3-amine
CID 126999305
trimethyl-(1-propan-2-yltriazol-4-yl)silane
CID 140904244
4-methyl-1-propyltriazole
CID 59256869
1-[(2R)-3-methylbutan-2-yl]-4-(2-methylpropyl)pyrazole
CID 153444612
1-(3-methylbutan-2-yl)pyrazole
CID 59320460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutan-2-yl)triazole?
The IUPAC name of 4-methyl-1-(3-methylbutan-2-yl)triazole (CID 58125139) is 4-methyl-1-(3-methylbutan-2-yl)triazole.
What is the SMILES notation for 4-methyl-1-(3-methylbutan-2-yl)triazole?
The canonical SMILES for 4-methyl-1-(3-methylbutan-2-yl)triazole is Cc1cn(C(C)C(C)C)nn1.
What is the InChIKey of 4-methyl-1-(3-methylbutan-2-yl)triazole?
The InChIKey is DFUTVKWHXAUHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8(4)11-5-7(3)9-10-11/h5-6,8H,1-4H3.
What are the key properties of 4-methyl-1-(3-methylbutan-2-yl)triazole?
4-methyl-1-(3-methylbutan-2-yl)triazole has a molecular weight of 153.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutan-2-yl)triazole is sourced from PubChem (CID 58125139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).