2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole

C8H11N3 — CID 22976819

IUPAC2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1nc2c(C)c(C)cn2[nH]1
InChIInChI=1S/C8H11N3/c1-5-4-11-8(6(5)2)9-7(3)10-11/h4H,1-3H3,(H,9,10)
InChIKeyZIZKFAZOBFIAIK-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.59
Rot. Bonds

About 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole

2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 22976819) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID22976819
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCc1nc2c(C)c(C)cn2[nH]1
InChIInChI=1S/C8H11N3/c1-5-4-11-8(6(5)2)9-7(3)10-11/h4H,1-3H3,(H,9,10)
InChIKeyZIZKFAZOBFIAIK-UHFFFAOYSA-N
XLogP1.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1h-Pyrrolo [1,2-b]-sym-triazole
CID 21224061
1h-Pyrrolo [2,1-c]-sym-triazole
CID 22016110
3,6-Dimethyl-1,2-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,5,7-triene
CID 10510906
1,6-Dimethylpyrrolo[2,1-e]tetrazole
CID 14969815
2-ethyl-7-propan-2-yl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10702471
2,7-diethyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10725700
7-ethyl-2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10821206
6-isocyano-2-methyl-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carbonitrile
CID 20578661
3-methyl-1H-pyrrolo[2,1-c][1,2,4]triazole-6,7-dicarbonitrile
CID 21200986
3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
CID 22976801
1,2,6,7-Tetramethylpyrrolo[1,2-b][1,2,4]triazole
CID 57684247
2,6-di(propan-2-yl)-3H-pyrrolo[1,2-b][1,2,4]triazole
CID 58310194

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole (CID 22976819) is 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole is Cc1nc2c(C)c(C)cn2[nH]1.
What is the InChIKey of 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is ZIZKFAZOBFIAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-4-11-8(6(5)2)9-7(3)10-11/h4H,1-3H3,(H,9,10).
What are the key properties of 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 149.20 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 22976819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).