4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole

C10H19N3 — CID 69383257

IUPAC4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole
SMILESCC(C)c1n[nH]nc1CC(C)(C)C
InChIInChI=1S/C10H19N3/c1-7(2)9-8(11-13-12-9)6-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyCKSPMWGHYYGBRH-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.52
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole

4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole (PubChem CID 69383257) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole
PubChem CID69383257
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole
SMILESCC(C)c1n[nH]nc1CC(C)(C)C
InChIInChI=1S/C10H19N3/c1-7(2)9-8(11-13-12-9)6-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13)
InChIKeyCKSPMWGHYYGBRH-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole (CID 69383257) is 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole is CC(C)c1n[nH]nc1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole?
The InChIKey is CKSPMWGHYYGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)9-8(11-13-12-9)6-10(3,4)5/h7H,6H2,1-5H3,(H,11,12,13).
What are the key properties of 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole?
4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole has a molecular weight of 181.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-propan-2-yl-2H-triazole is sourced from PubChem (CID 69383257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).