2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole

C11H17N3 — CID 58310194

IUPAC2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)c1cc2nc(C(C)C)[nH]n2c1
InChIInChI=1S/C11H17N3/c1-7(2)9-5-10-12-11(8(3)4)13-14(10)6-9/h5-8H,1-4H3,(H,12,13)
InChIKeyZATVEUGJCKPMEP-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.91
Rot. Bonds2

About 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole

2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 58310194) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID58310194
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)c1cc2nc(C(C)C)[nH]n2c1
InChIInChI=1S/C11H17N3/c1-7(2)9-5-10-12-11(8(3)4)13-14(10)6-9/h5-8H,1-4H3,(H,12,13)
InChIKeyZATVEUGJCKPMEP-UHFFFAOYSA-N
XLogP2.91
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole (CID 58310194) is 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole is CC(C)c1cc2nc(C(C)C)[nH]n2c1.
What is the InChIKey of 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is ZATVEUGJCKPMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7(2)9-5-10-12-11(8(3)4)13-14(10)6-9/h5-8H,1-4H3,(H,12,13).
What are the key properties of 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole?
2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 191.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 58310194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).