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

C9H15N5 — CID 140500115

IUPAC1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESCN(C)c1ccn2ncn(N(C)C)c12
InChIInChI=1S/C9H15N5/c1-11(2)8-5-6-13-9(8)14(7-10-13)12(3)4/h5-7H,1-4H3
InChIKeyIYPCWROQXPEZSB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.40
Rot. Bonds2

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

1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (PubChem CID 140500115) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.

Molecular Properties

Compound Name1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
PubChem CID140500115
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESCN(C)c1ccn2ncn(N(C)C)c12
InChIInChI=1S/C9H15N5/c1-11(2)8-5-6-13-9(8)14(7-10-13)12(3)4/h5-7H,1-4H3
InChIKeyIYPCWROQXPEZSB-UHFFFAOYSA-N
XLogP0.40
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The IUPAC name of 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (CID 140500115) is 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.
What is the SMILES notation for 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The canonical SMILES for 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is CN(C)c1ccn2ncn(N(C)C)c12.
What is the InChIKey of 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The InChIKey is IYPCWROQXPEZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-11(2)8-5-6-13-9(8)14(7-10-13)12(3)4/h5-7H,1-4H3.
What are the key properties of 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine has a molecular weight of 193.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,7-N,7-N-tetramethylpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is sourced from PubChem (CID 140500115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).