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

C12H23N3O — CID 134215430

IUPAC1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole
SMILESCC(C)CCCn1cc(COC(C)C)nn1
InChIInChI=1S/C12H23N3O/c1-10(2)6-5-7-15-8-12(13-14-15)9-16-11(3)4/h8,10-11H,5-7,9H2,1-4H3
InChIKeyYSZTWIACDFABJU-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.64
Rot. Bonds7

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

1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole (PubChem CID 134215430) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole
PubChem CID134215430
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole
SMILESCC(C)CCCn1cc(COC(C)C)nn1
InChIInChI=1S/C12H23N3O/c1-10(2)6-5-7-15-8-12(13-14-15)9-16-11(3)4/h8,10-11H,5-7,9H2,1-4H3
InChIKeyYSZTWIACDFABJU-UHFFFAOYSA-N
XLogP2.64
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazole
CID 44445272
4-(4,5-dihydrooxazol-2-yl)-1-heptyl-1H-1,2,3-triazole
CID 44445273
4-(Ethoxymethyl)-1-ethyltriazole
CID 13230240
4-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 59518209
1-ethyl-4-(methoxymethyl)-1H-1,2,3-triazole
CID 91565422
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
1-(2-Fluoroethyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
CID 89547540
1-(2-Fluoroethyl)-4-(methoxymethyl)triazole
CID 89548654
4-(Ethoxymethyl)-1-(2-fluoroethyl)triazole
CID 89548703
1-(2-Fluoroethyl)-4-(propan-2-yloxymethyl)triazole
CID 164101150
1-Ethyl-4-(2-fluoroethoxymethyl)triazole
CID 171649238
4-(2-Fluoroethoxymethyl)-1-propan-2-yltriazole
CID 171649241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole?
The IUPAC name of 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole (CID 134215430) is 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole.
What is the SMILES notation for 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole?
The canonical SMILES for 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole is CC(C)CCCn1cc(COC(C)C)nn1.
What is the InChIKey of 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole?
The InChIKey is YSZTWIACDFABJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)6-5-7-15-8-12(13-14-15)9-16-11(3)4/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole?
1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole has a molecular weight of 225.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(propan-2-yloxymethyl)triazole is sourced from PubChem (CID 134215430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).