2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide

C11H14N6O2 — CID 39890812

IUPAC2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nnc2c(C)n(C)nc2c1=O
InChIInChI=1S/C11H14N6O2/c1-4-5-12-8(18)6-17-11(19)10-9(13-15-17)7(2)16(3)14-10/h4H,1,5-6H2,2-3H3,(H,12,18)
InChIKeyMRAMFIHYOPMBPO-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.86
Rot. Bonds4

About 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide

2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide (PubChem CID 39890812) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide
PubChem CID39890812
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nnc2c(C)n(C)nc2c1=O
InChIInChI=1S/C11H14N6O2/c1-4-5-12-8(18)6-17-11(19)10-9(13-15-17)7(2)16(3)14-10/h4H,1,5-6H2,2-3H3,(H,12,18)
InChIKeyMRAMFIHYOPMBPO-UHFFFAOYSA-N
XLogP-0.86
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide (CID 39890812) is 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nnc2c(C)n(C)nc2c1=O.
What is the InChIKey of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide?
The InChIKey is MRAMFIHYOPMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-4-5-12-8(18)6-17-11(19)10-9(13-15-17)7(2)16(3)14-10/h4H,1,5-6H2,2-3H3,(H,12,18).
What are the key properties of 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide?
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide has a molecular weight of 262.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 39890812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).