7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one

C11H14N4O — CID 82058547

IUPAC7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESC=C(C)CN1N=C2C=CC(N)=CN2CC1=O
InChIInChI=1S/C11H14N4O/c1-8(2)5-15-11(16)7-14-6-9(12)3-4-10(14)13-15/h3-4,6H,1,5,7,12H2,2H3
InChIKeyCTPNTWZCINFGMF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.39
Rot. Bonds2

About 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one

7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one (PubChem CID 82058547) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one.

Molecular Properties

Compound Name7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
PubChem CID82058547
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESC=C(C)CN1N=C2C=CC(N)=CN2CC1=O
InChIInChI=1S/C11H14N4O/c1-8(2)5-15-11(16)7-14-6-9(12)3-4-10(14)13-15/h3-4,6H,1,5,7,12H2,2H3
InChIKeyCTPNTWZCINFGMF-UHFFFAOYSA-N
XLogP0.39
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The IUPAC name of 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one (CID 82058547) is 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one.
What is the SMILES notation for 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The canonical SMILES for 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one is C=C(C)CN1N=C2C=CC(N)=CN2CC1=O.
What is the InChIKey of 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The InChIKey is CTPNTWZCINFGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)5-15-11(16)7-14-6-9(12)3-4-10(14)13-15/h3-4,6H,1,5,7,12H2,2H3.
What are the key properties of 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one has a molecular weight of 218.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(2-methylprop-2-enyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one is sourced from PubChem (CID 82058547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).