1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine

C9H15N5 — CID 69459937

IUPAC1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESCCN(CC)n1cnn2ccc(N)c12
InChIInChI=1S/C9H15N5/c1-3-12(4-2)14-7-11-13-6-5-8(10)9(13)14/h5-7H,3-4,10H2,1-2H3
InChIKeyNPIXAYGFYYODSO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.70
Rot. Bonds3

About 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine

1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (PubChem CID 69459937) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.

Molecular Properties

Compound Name1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
PubChem CID69459937
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESCCN(CC)n1cnn2ccc(N)c12
InChIInChI=1S/C9H15N5/c1-3-12(4-2)14-7-11-13-6-5-8(10)9(13)14/h5-7H,3-4,10H2,1-2H3
InChIKeyNPIXAYGFYYODSO-UHFFFAOYSA-N
XLogP0.70
TPSA51.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The IUPAC name of 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (CID 69459937) is 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.
What is the SMILES notation for 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The canonical SMILES for 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is CCN(CC)n1cnn2ccc(N)c12.
What is the InChIKey of 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The InChIKey is NPIXAYGFYYODSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-3-12(4-2)14-7-11-13-6-5-8(10)9(13)14/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is sourced from PubChem (CID 69459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).