N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine

C9H14N4 — CID 58607303

IUPACN,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine
SMILESCc1cc2n(N(C)C)c(C)nn2c1
InChIInChI=1S/C9H14N4/c1-7-5-9-12(6-7)10-8(2)13(9)11(3)4/h5-6H,1-4H3
InChIKeyLNGYZUAILYVDLF-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.95
Rot. Bonds1

About N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine

N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine (PubChem CID 58607303) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine.

Molecular Properties

Compound NameN,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine
PubChem CID58607303
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine
SMILESCc1cc2n(N(C)C)c(C)nn2c1
InChIInChI=1S/C9H14N4/c1-7-5-9-12(6-7)10-8(2)13(9)11(3)4/h5-6H,1-4H3
InChIKeyLNGYZUAILYVDLF-UHFFFAOYSA-N
XLogP0.95
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1h-Pyrrolo [1,2-b]-sym-triazole
CID 21224061
Pyrrolo[1,2-d]tetrazole
CID 21226033
8-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 584076
1-ethyl-3-[(1Z,3E)-4-pyrrol-1-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 44472415
[1-methyl-5-(1H-pyrrol-3-yl)-1,2,4-triazol-3-yl]methanamine
CID 136306249
1,7-Dimethylpyrrolo[2,1-e]tetrazole
CID 10486902
3,6-Dimethyl-1,2-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,5,7-triene
CID 10510906
Ethyl 7-methylpyrrolo[2,1-e]tetrazole-1-carboxylate
CID 10535799
1,6-Dimethylpyrrolo[2,1-e]tetrazole
CID 14969815
7-Methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 12428518
7-Methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 13518812
3,8-Dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 21812926

Frequently Asked Questions

What is the IUPAC name of N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine?
The IUPAC name of N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine (CID 58607303) is N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine.
What is the SMILES notation for N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine?
The canonical SMILES for N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine is Cc1cc2n(N(C)C)c(C)nn2c1.
What is the InChIKey of N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine?
The InChIKey is LNGYZUAILYVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-5-9-12(6-7)10-8(2)13(9)11(3)4/h5-6H,1-4H3.
What are the key properties of N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine?
N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,6-tetramethylpyrrolo[1,2-b][1,2,4]triazol-1-amine is sourced from PubChem (CID 58607303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).