2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane

C9H15N3 — CID 143791203

IUPAC2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane
SMILESCC.Cc1cc2nc(C)[nH]n2c1
InChIInChI=1S/C7H9N3.C2H6/c1-5-3-7-8-6(2)9-10(7)4-5;1-2/h3-4H,1-2H3,(H,8,9);1-2H3
InChIKeyZFBIIAUXMCDOAZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.31
Rot. Bonds

About 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane

2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane (PubChem CID 143791203) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane.

Molecular Properties

Compound Name2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane
PubChem CID143791203
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane
SMILESCC.Cc1cc2nc(C)[nH]n2c1
InChIInChI=1S/C7H9N3.C2H6/c1-5-3-7-8-6(2)9-10(7)4-5;1-2/h3-4H,1-2H3,(H,8,9);1-2H3
InChIKeyZFBIIAUXMCDOAZ-UHFFFAOYSA-N
XLogP2.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane?
The IUPAC name of 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane (CID 143791203) is 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane.
What is the SMILES notation for 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane?
The canonical SMILES for 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane is CC.Cc1cc2nc(C)[nH]n2c1.
What is the InChIKey of 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane?
The InChIKey is ZFBIIAUXMCDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-5-3-7-8-6(2)9-10(7)4-5;1-2/h3-4H,1-2H3,(H,8,9);1-2H3.
What are the key properties of 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane?
2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane has a molecular weight of 165.24 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole;ethane is sourced from PubChem (CID 143791203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).