1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole

C13H25N3O — CID 155405262

IUPAC1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
SMILESCC(C)CCCn1cc(CCOC(C)C)nn1
InChIInChI=1S/C13H25N3O/c1-11(2)6-5-8-16-10-13(14-15-16)7-9-17-12(3)4/h10-12H,5-9H2,1-4H3
InChIKeyWCPZYVOCVRRHKV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.68
Rot. Bonds8

About 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole

1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole (PubChem CID 155405262) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
PubChem CID155405262
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
SMILESCC(C)CCCn1cc(CCOC(C)C)nn1
InChIInChI=1S/C13H25N3O/c1-11(2)6-5-8-16-10-13(14-15-16)7-9-17-12(3)4/h10-12H,5-9H2,1-4H3
InChIKeyWCPZYVOCVRRHKV-UHFFFAOYSA-N
XLogP2.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
CID 171725797
4-(2-bromoethyl)-1-(4-methylpentyl)triazole
CID 83167910
ethane;4-(4-methoxybutyl)-1-(4-methylpentyl)triazole
CID 155739820
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
CID 106221129
4-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)triazole
CID 62401226
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
1-[1-(4-methylpentyl)triazol-4-yl]propane-2-thiol
CID 178008150
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
CID 171725793
N,2-dimethyl-N-[[1-(2-propan-2-yloxyethyl)triazol-4-yl]methyl]propan-1-amine
CID 155599524
1-(3-methylbutyl)-4-propyltriazole
CID 68679793
4-(3,3-dimethylbutyl)-1-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]triazole
CID 170092527
1,4-bis(5-methylhexyl)triazole;4-(3-methylbutyl)-1-(7-methyloctyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);bis(5-(6-methylheptyl)-1-(5-methylhexyl)triazole);bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)
CID 161018861

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole?
The IUPAC name of 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole (CID 155405262) is 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole.
What is the SMILES notation for 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole?
The canonical SMILES for 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole is CC(C)CCCn1cc(CCOC(C)C)nn1.
What is the InChIKey of 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole?
The InChIKey is WCPZYVOCVRRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)6-5-8-16-10-13(14-15-16)7-9-17-12(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole?
1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole has a molecular weight of 239.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole is sourced from PubChem (CID 155405262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).