1,5-di(propan-2-yl)triazole

C16H30N6 — CID 161103432

IUPAC1,5-di(propan-2-yl)triazole
SMILESCC(C)c1cnnn1C(C)C.CC(C)c1cnnn1C(C)C
InChIInChI=1S/2C8H15N3/c2*1-6(2)8-5-9-10-11(8)7(3)4/h2*5-7H,1-4H3
InChIKeyUISSYMHCZCRVMU-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.96
Rot. Bonds4

About 1,5-di(propan-2-yl)triazole

1,5-di(propan-2-yl)triazole (PubChem CID 161103432) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,5-di(propan-2-yl)triazole
PubChem CID161103432
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name1,5-di(propan-2-yl)triazole
SMILESCC(C)c1cnnn1C(C)C.CC(C)c1cnnn1C(C)C
InChIInChI=1S/2C8H15N3/c2*1-6(2)8-5-9-10-11(8)7(3)4/h2*5-7H,1-4H3
InChIKeyUISSYMHCZCRVMU-UHFFFAOYSA-N
XLogP3.96
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)triazole?
The IUPAC name of 1,5-di(propan-2-yl)triazole (CID 161103432) is 1,5-di(propan-2-yl)triazole.
What is the SMILES notation for 1,5-di(propan-2-yl)triazole?
The canonical SMILES for 1,5-di(propan-2-yl)triazole is CC(C)c1cnnn1C(C)C.CC(C)c1cnnn1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)triazole?
The InChIKey is UISSYMHCZCRVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N3/c2*1-6(2)8-5-9-10-11(8)7(3)4/h2*5-7H,1-4H3.
What are the key properties of 1,5-di(propan-2-yl)triazole?
1,5-di(propan-2-yl)triazole has a molecular weight of 306.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)triazole is sourced from PubChem (CID 161103432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).