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

C7H11N5 — CID 69460107

IUPAC1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESCN(C)n1cnn2ccc(N)c12
InChIInChI=1S/C7H11N5/c1-10(2)12-5-9-11-4-3-6(8)7(11)12/h3-5H,8H2,1-2H3
InChIKeySYIZQSHTOJDCGF-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.08
Rot. Bonds1

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

1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (PubChem CID 69460107) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
PubChem CID69460107
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESCN(C)n1cnn2ccc(N)c12
InChIInChI=1S/C7H11N5/c1-10(2)12-5-9-11-4-3-6(8)7(11)12/h3-5H,8H2,1-2H3
InChIKeySYIZQSHTOJDCGF-UHFFFAOYSA-N
XLogP-0.08
TPSA51.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.08
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-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The IUPAC name of 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (CID 69460107) is 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.
What is the SMILES notation for 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The canonical SMILES for 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is CN(C)n1cnn2ccc(N)c12.
What is the InChIKey of 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The InChIKey is SYIZQSHTOJDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-10(2)12-5-9-11-4-3-6(8)7(11)12/h3-5H,8H2,1-2H3.
What are the key properties of 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine has a molecular weight of 165.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is sourced from PubChem (CID 69460107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).