4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole

C15H29N3O — CID 171725797

IUPAC4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
SMILESCC(C)CCc1cn(CCCCCOC(C)C)nn1
InChIInChI=1S/C15H29N3O/c1-13(2)8-9-15-12-18(17-16-15)10-6-5-7-11-19-14(3)4/h12-14H,5-11H2,1-4H3
InChIKeyVHFPIAUJDAAHDC-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.46
Rot. Bonds10

About 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole

4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole (PubChem CID 171725797) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole.

Molecular Properties

Compound Name4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
PubChem CID171725797
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole
SMILESCC(C)CCc1cn(CCCCCOC(C)C)nn1
InChIInChI=1S/C15H29N3O/c1-13(2)8-9-15-12-18(17-16-15)10-6-5-7-11-19-14(3)4/h12-14H,5-11H2,1-4H3
InChIKeyVHFPIAUJDAAHDC-UHFFFAOYSA-N
XLogP3.46
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpentyl)-4-(2-propan-2-yloxyethyl)triazole
CID 155405262
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
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
1,4-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
4-(2-bromoethyl)-1-(4-methylpentyl)triazole
CID 83167910
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-propan-2-yloxyethoxymethyl)triazole
CID 171725793
1,4-bis(5-methylhexyl)triazole;5-(3-methylbutyl)-1-(8-methylnonyl)triazole;bis(4-(6-methylheptyl)-1-(4-methylpentyl)triazole);bis(1-(7-methyloctyl)-5-(4-methylpentyl)triazole)
CID 157306003
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
1,4-bis(5-methylhexyl)triazole;1,5-bis(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-5-(5-methylhexyl)triazole);5-(6-methylheptyl)-1-(5-methylhexyl)triazole;bis(1-(6-methylheptyl)-4-(4-methylpentyl)triazole)
CID 159671207

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole?
The IUPAC name of 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole (CID 171725797) is 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole.
What is the SMILES notation for 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole?
The canonical SMILES for 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole is CC(C)CCc1cn(CCCCCOC(C)C)nn1.
What is the InChIKey of 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole?
The InChIKey is VHFPIAUJDAAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)8-9-15-12-18(17-16-15)10-6-5-7-11-19-14(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole?
4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole has a molecular weight of 267.42 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-1-(5-propan-2-yloxypentyl)triazole is sourced from PubChem (CID 171725797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).