1,3-di(propan-2-yl)-1,2,4-triazole

C8H15N3 — CID 58861429

IUPAC1,3-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C8H15N3/c1-6(2)8-9-5-11(10-8)7(3)4/h5-7H,1-4H3
InChIKeyHDCOXNARKWXSRJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.98
Rot. Bonds2

About 1,3-di(propan-2-yl)-1,2,4-triazole

1,3-di(propan-2-yl)-1,2,4-triazole (PubChem CID 58861429) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,2,4-triazole
PubChem CID58861429
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1,3-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C8H15N3/c1-6(2)8-9-5-11(10-8)7(3)4/h5-7H,1-4H3
InChIKeyHDCOXNARKWXSRJ-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 1,3-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 1,3-di(propan-2-yl)-1,2,4-triazole (CID 58861429) is 1,3-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1,3-di(propan-2-yl)-1,2,4-triazole is CC(C)c1ncn(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is HDCOXNARKWXSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8-9-5-11(10-8)7(3)4/h5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-1,2,4-triazole?
1,3-di(propan-2-yl)-1,2,4-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 1,3-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 58861429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).