1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole

C10H17N3 — CID 123438888

IUPAC1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole
SMILESCC(C)(C)Cc1ncn(C2CC2)n1
InChIInChI=1S/C10H17N3/c1-10(2,3)6-9-11-7-13(12-9)8-4-5-8/h7-8H,4-6H2,1-3H3
InChIKeyRJJZSKQHPIHYLI-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.20
Rot. Bonds2

About 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole

1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole (PubChem CID 123438888) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole
PubChem CID123438888
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole
SMILESCC(C)(C)Cc1ncn(C2CC2)n1
InChIInChI=1S/C10H17N3/c1-10(2,3)6-9-11-7-13(12-9)8-4-5-8/h7-8H,4-6H2,1-3H3
InChIKeyRJJZSKQHPIHYLI-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole?
The IUPAC name of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole (CID 123438888) is 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole?
The canonical SMILES for 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole is CC(C)(C)Cc1ncn(C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole?
The InChIKey is RJJZSKQHPIHYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)6-9-11-7-13(12-9)8-4-5-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole?
1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-triazole is sourced from PubChem (CID 123438888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).