1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole

C11H21N3 — CID 134560662

IUPAC1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
SMILESCn1cc(C(C)(C)CC(C)(C)C)nn1
InChIInChI=1S/C11H21N3/c1-10(2,3)8-11(4,5)9-7-14(6)13-12-9/h7H,8H2,1-6H3
InChIKeyCILGJHAMGOXVCP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.53
Rot. Bonds2

About 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole

1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole (PubChem CID 134560662) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole.

Molecular Properties

Compound Name1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
PubChem CID134560662
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
SMILESCn1cc(C(C)(C)CC(C)(C)C)nn1
InChIInChI=1S/C11H21N3/c1-10(2,3)8-11(4,5)9-7-14(6)13-12-9/h7H,8H2,1-6H3
InChIKeyCILGJHAMGOXVCP-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane
CID 171085136
1,4-bis(2,4,4-trimethylpentan-2-yl)triazole
CID 123345375
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
CID 62755426
1-ethyl-4-(2,4,4-trimethylhexan-2-yl)triazole
CID 164601181
1-cyclobutyl-2-(1-methyltriazol-4-yl)propan-2-ol
CID 130602295
3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol
CID 130603078
2,2-difluoro-2-(1-methyltriazol-4-yl)acetic acid
CID 130603022
azane;4-bromo-1-methyltriazole
CID 146597860
4-tert-butyl-1-(3,3-dimethylbutyl)triazole
CID 90801752
2,3-dimethyl-3-[1-(2,4,4-trimethylpentan-2-yl)triazol-4-yl]butan-2-ol
CID 91284315

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole?
The IUPAC name of 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole (CID 134560662) is 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole.
What is the SMILES notation for 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole?
The canonical SMILES for 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole is Cn1cc(C(C)(C)CC(C)(C)C)nn1.
What is the InChIKey of 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole?
The InChIKey is CILGJHAMGOXVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2,3)8-11(4,5)9-7-14(6)13-12-9/h7H,8H2,1-6H3.
What are the key properties of 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole?
1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole has a molecular weight of 195.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole is sourced from PubChem (CID 134560662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).