4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole

C10H16Cl3N3 — CID 69381994

IUPAC4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole
SMILESCC(C)Cc1nnn(C(C)C)c1C(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl3N3/c1-6(2)5-8-9(10(11,12)13)16(7(3)4)15-14-8/h6-7H,5H2,1-4H3
InChIKeyPQLVOBASOZLRNU-UHFFFAOYSA-N
MW284.62 g/mol
LogP3.88
Rot. Bonds3

About 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole

4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole (PubChem CID 69381994) has the molecular formula C10H16Cl3N3 and a molecular weight of 284.62 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole
PubChem CID69381994
Molecular FormulaC10H16Cl3N3
Molecular Weight284.62 g/mol
Exact Mass283.04
IUPAC Name4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole
SMILESCC(C)Cc1nnn(C(C)C)c1C(Cl)(Cl)Cl
InChIInChI=1S/C10H16Cl3N3/c1-6(2)5-8-9(10(11,12)13)16(7(3)4)15-14-8/h6-7H,5H2,1-4H3
InChIKeyPQLVOBASOZLRNU-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.62
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropyl)-1-propyl-5-(trichloromethyl)triazole
CID 69383302
4-(2,2-dimethylpropyl)-5-(1,1,2,2,2-pentachloroethyl)-1-propan-2-yltriazole
CID 69382460
4-(2-methylpropyl)-5-nitro-1-propan-2-yltriazole
CID 69384534
(5-tert-butyl-1-propan-2-yltriazol-4-yl)methanol
CID 82206812
1-propan-2-yl-4-(trichloromethyl)-5-(trifluoromethyl)triazole
CID 87803967
5-(2-methylpropyl)-1-propan-2-yl-4-propyltriazole
CID 69385134
4-ethyl-5-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-yltriazole
CID 87804619
4-fluoro-5-(1,1,2,2,2-pentachloroethyl)-1-propan-2-yltriazole
CID 87804931
4-ethyl-1-methyl-5-(trichloromethyl)triazole
CID 69382532
3-methyl-5-(2-methylpropyl)triazol-4-amine
CID 83635419
N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine
CID 84765459
4,5-bis(1,1,2,2,2-pentafluoroethyl)-1-propan-2-yltriazole
CID 87803610

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole?
The IUPAC name of 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole (CID 69381994) is 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole.
What is the SMILES notation for 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole?
The canonical SMILES for 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole is CC(C)Cc1nnn(C(C)C)c1C(Cl)(Cl)Cl.
What is the InChIKey of 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole?
The InChIKey is PQLVOBASOZLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl3N3/c1-6(2)5-8-9(10(11,12)13)16(7(3)4)15-14-8/h6-7H,5H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole?
4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole has a molecular weight of 284.62 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-propan-2-yl-5-(trichloromethyl)triazole is sourced from PubChem (CID 69381994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).