4-(2,2-dimethylpropyl)-1-methyltriazole

C8H15N3 — CID 58079661

IUPAC4-(2,2-dimethylpropyl)-1-methyltriazole
SMILESCn1cc(CC(C)(C)C)nn1
InChIInChI=1S/C8H15N3/c1-8(2,3)5-7-6-11(4)10-9-7/h6H,5H2,1-4H3
InChIKeyBCNXHQVCURMGMY-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.40
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-1-methyltriazole

4-(2,2-dimethylpropyl)-1-methyltriazole (PubChem CID 58079661) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-methyltriazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-methyltriazole
PubChem CID58079661
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-(2,2-dimethylpropyl)-1-methyltriazole
SMILESCn1cc(CC(C)(C)C)nn1
InChIInChI=1S/C8H15N3/c1-8(2,3)5-7-6-11(4)10-9-7/h6H,5H2,1-4H3
InChIKeyBCNXHQVCURMGMY-UHFFFAOYSA-N
XLogP1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
4-[2-(chloromethyl)-2-methylpentyl]-1-methyltriazole
CID 107057943
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
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
2,2-difluoro-3-(1-methyltriazol-4-yl)propanoic acid
CID 165462011
2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
CID 62755426
4-(2,2-dimethylpropyl)-1-(2-methylsulfanylpropan-2-yl)triazole
CID 126758662

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-1-methyltriazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-methyltriazole (CID 58079661) is 4-(2,2-dimethylpropyl)-1-methyltriazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-methyltriazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-methyltriazole is Cn1cc(CC(C)(C)C)nn1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-methyltriazole?
The InChIKey is BCNXHQVCURMGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2,3)5-7-6-11(4)10-9-7/h6H,5H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-methyltriazole?
4-(2,2-dimethylpropyl)-1-methyltriazole has a molecular weight of 153.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-methyltriazole is sourced from PubChem (CID 58079661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).