2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide

C8H9N5 — CID 83874408

IUPAC2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cnc(C)nn12
InChIInChI=1S/C8H9N5/c1-5-11-4-6-2-3-7(8(9)10)13(6)12-5/h2-4H,1H3,(H3,9,10)
InChIKeyBLOAJVVYMHNALG-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.32
Rot. Bonds1

About 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide

2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide (PubChem CID 83874408) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide.

Molecular Properties

Compound Name2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide
PubChem CID83874408
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cnc(C)nn12
InChIInChI=1S/C8H9N5/c1-5-11-4-6-2-3-7(8(9)10)13(6)12-5/h2-4H,1H3,(H3,9,10)
InChIKeyBLOAJVVYMHNALG-UHFFFAOYSA-N
XLogP0.32
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine
CID 83874591
6-chloroimidazo[1,2-b]pyridazine-3-carboximidamide
CID 83879652
3-tert-butylimidazole-4-carboximidamide
CID 83873560
N-methyl-2-(2-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanamine
CID 112712519
3-cyclopropylimidazo[1,5-a]pyridine-5-carboximidamide
CID 83880717
potassium (2-carbamimidoyl-5-methylpyrrol-1-yl)-methylazanide
CID 170597255
6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboximidamide
CID 83877155
tetrazolo[1,5-a]pyridine-5-carboximidamide
CID 83873084
3-methyltriazole-4-carboximidamide;hydrochloride
CID 175806610
7-(cyclohexen-1-yl)-2-methylpyrrolo[2,1-f][1,2,4]triazine
CID 58071340
5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride
CID 175341928
8-chloroimidazo[1,2-a]pyridine-3-carboximidamide
CID 83879193

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide?
The IUPAC name of 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide (CID 83874408) is 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide.
What is the SMILES notation for 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide?
The canonical SMILES for 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide is [H]/N=C(\N)c1ccc2cnc(C)nn12.
What is the InChIKey of 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide?
The InChIKey is BLOAJVVYMHNALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-5-11-4-6-2-3-7(8(9)10)13(6)12-5/h2-4H,1H3,(H3,9,10).
What are the key properties of 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide?
2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide has a molecular weight of 175.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboximidamide is sourced from PubChem (CID 83874408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).