5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C7H7N3O — CID 135742071

IUPAC5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1ccn2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O/c1-5-2-3-10-6(5)7(11)8-4-9-10/h2-4H,1H3,(H,8,9,11)
InChIKeyAEDCOWYMDRVJLG-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.33
Rot. Bonds

About 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135742071) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135742071
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1ccn2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O/c1-5-2-3-10-6(5)7(11)8-4-9-10/h2-4H,1H3,(H,8,9,11)
InChIKeyAEDCOWYMDRVJLG-UHFFFAOYSA-N
XLogP0.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
Peramine
CID 114748
4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
CID 22514403
N-benzyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514420
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504
N-benzyl-1-methyl-1H-pyrrole-2-carboxamide
CID 11127627
1-methyl-1H,6H,7H-pyrrolo[2,3-c]pyridin-7-one
CID 52908295
1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 15662088
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
N-(4-methylbenzyl)-2-[1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetamide
CID 22514359
2-{4-methyl-1-oxo-1H,2H-pyrrolo[1,2-d][1,2,4]triazin-2-yl}-N-(2-phenylethyl)acetamide
CID 22514454

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135742071) is 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1ccn2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is AEDCOWYMDRVJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-2-3-10-6(5)7(11)8-4-9-10/h2-4H,1H3,(H,8,9,11).
What are the key properties of 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135742071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).