5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C11H12N6O2 — CID 135601399

IUPAC5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(OCCn2cncn2)cn2nc[nH]c(=O)c12
InChIInChI=1S/C11H12N6O2/c1-8-9(19-3-2-16-7-12-5-14-16)4-17-10(8)11(18)13-6-15-17/h4-7H,2-3H2,1H3,(H,13,15,18)
InChIKeySJRYJBYYHCTMFD-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.00
Rot. Bonds4

About 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135601399) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135601399
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(OCCn2cncn2)cn2nc[nH]c(=O)c12
InChIInChI=1S/C11H12N6O2/c1-8-9(19-3-2-16-7-12-5-14-16)4-17-10(8)11(18)13-6-15-17/h4-7H,2-3H2,1H3,(H,13,15,18)
InChIKeySJRYJBYYHCTMFD-UHFFFAOYSA-N
XLogP0.00
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one with MolForge

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Related Compounds

4-Hydroxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl 2,2-dimethylpropanoate
CID 135620569
6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135847946
6-(3-Chloropropoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135998495
N-[3-(4-hydroxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-propyl]-methanesulfonamide
CID 136346155
5-methyl-6-(3-piperidin-1-ylpropoxy)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136346166
[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate
CID 136928858
(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate
CID 174486750
Propanoic acid, 2,2-dimethyl-, 1,4-dihydro-5-methyl-4-oxopyrrolo[2,1-f][1,2,4]triazin-6-yl-2-14C ester
CID 136162486
(5-(113C)methyl-4-oxo-3H-(3,4-13C2,115N)pyrrolo[2,1-f](1,4-15N2)[1,2,4]triazin-6-yl) 2,2-dimethylpropanoate
CID 136162514

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135601399) is 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(OCCn2cncn2)cn2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SJRYJBYYHCTMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-8-9(19-3-2-16-7-12-5-14-16)4-17-10(8)11(18)13-6-15-17/h4-7H,2-3H2,1H3,(H,13,15,18).
What are the key properties of 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 260.26 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135601399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).