4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole

C9H17N3O — CID 134218804

IUPAC4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole
SMILESCOC(C)CC(C)(C)c1cn[nH]n1
InChIInChI=1S/C9H17N3O/c1-7(13-4)5-9(2,3)8-6-10-12-11-8/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyYRJKXYRGIZYCOO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.51
Rot. Bonds4

About 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole

4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole (PubChem CID 134218804) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole.

Molecular Properties

Compound Name4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole
PubChem CID134218804
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole
SMILESCOC(C)CC(C)(C)c1cn[nH]n1
InChIInChI=1S/C9H17N3O/c1-7(13-4)5-9(2,3)8-6-10-12-11-8/h6-7H,5H2,1-4H3,(H,10,11,12)
InChIKeyYRJKXYRGIZYCOO-UHFFFAOYSA-N
XLogP1.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxy-2-methylpentan-2-yl)-2H-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

4-tert-butyl-2H-triazole
CID 20507674
4-(dimethoxymethyl)-2H-triazole
CID 134836838
ethane;4-(trifluoromethyl)-2H-triazole
CID 177142092
4-(2-azidopropan-2-yl)-2H-triazole
CID 14359210
N-(2-methoxypropyl)-2H-triazole-4-carboxamide
CID 102700159
7-(4-methoxy-2-methylpentan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143861213
4-[dichloro-[dichloro(2H-triazol-4-yl)methyl]sulfanylmethyl]-2H-triazole
CID 140973279
1,1,1-trifluoro-2-(2H-triazol-4-yl)butan-2-ol
CID 67036528
(2S)-1,1,1-trifluoro-2-(2H-triazol-4-yl)butan-2-ol
CID 141217161
4-(1-chloroethyl)-2H-triazole
CID 54289123
tri(propan-2-yl)-(2H-triazol-4-yl)silane
CID 12990358
methyl 2-(2H-triazol-4-yl)propanoate
CID 70394798

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole?
The IUPAC name of 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole (CID 134218804) is 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole.
What is the SMILES notation for 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole?
The canonical SMILES for 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole is COC(C)CC(C)(C)c1cn[nH]n1.
What is the InChIKey of 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole?
The InChIKey is YRJKXYRGIZYCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(13-4)5-9(2,3)8-6-10-12-11-8/h6-7H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole?
4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole has a molecular weight of 183.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylpentan-2-yl)-2H-triazole is sourced from PubChem (CID 134218804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).