1,4-di(propan-2-yl)triazole

C8H15N3 — CID 21054920

IUPAC1,4-di(propan-2-yl)triazole
SMILESCC(C)c1cn(C(C)C)nn1
InChIInChI=1S/C8H15N3/c1-6(2)8-5-11(7(3)4)10-9-8/h5-7H,1-4H3
InChIKeyVOJXWVNLAGSXBL-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.98
Rot. Bonds2

About 1,4-di(propan-2-yl)triazole

1,4-di(propan-2-yl)triazole (PubChem CID 21054920) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,4-di(propan-2-yl)triazole
PubChem CID21054920
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1,4-di(propan-2-yl)triazole
SMILESCC(C)c1cn(C(C)C)nn1
InChIInChI=1S/C8H15N3/c1-6(2)8-5-11(7(3)4)10-9-8/h5-7H,1-4H3
InChIKeyVOJXWVNLAGSXBL-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)triazole?
The IUPAC name of 1,4-di(propan-2-yl)triazole (CID 21054920) is 1,4-di(propan-2-yl)triazole.
What is the SMILES notation for 1,4-di(propan-2-yl)triazole?
The canonical SMILES for 1,4-di(propan-2-yl)triazole is CC(C)c1cn(C(C)C)nn1.
What is the InChIKey of 1,4-di(propan-2-yl)triazole?
The InChIKey is VOJXWVNLAGSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8-5-11(7(3)4)10-9-8/h5-7H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)triazole?
1,4-di(propan-2-yl)triazole has a molecular weight of 153.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)triazole is sourced from PubChem (CID 21054920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).