N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide

C18H19N7O2 — CID 16674977

IUPACN-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide
SMILESCc1nnc2nc(-c3ccc(NC(=O)CN4CCNC4=O)cc3)cn2c1C
InChIInChI=1S/C18H19N7O2/c1-11-12(2)25-9-15(21-17(25)23-22-11)13-3-5-14(6-4-13)20-16(26)10-24-8-7-19-18(24)27/h3-6,9H,7-8,10H2,1-2H3,(H,19,27)(H,20,26)
InChIKeyQRZSXOHLAQHICV-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.37
Rot. Bonds4

About N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide

N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide (PubChem CID 16674977) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide
PubChem CID16674977
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide
SMILESCc1nnc2nc(-c3ccc(NC(=O)CN4CCNC4=O)cc3)cn2c1C
InChIInChI=1S/C18H19N7O2/c1-11-12(2)25-9-15(21-17(25)23-22-11)13-3-5-14(6-4-13)20-16(26)10-24-8-7-19-18(24)27/h3-6,9H,7-8,10H2,1-2H3,(H,19,27)(H,20,26)
InChIKeyQRZSXOHLAQHICV-UHFFFAOYSA-N
XLogP1.37
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide (CID 16674977) is N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide is Cc1nnc2nc(-c3ccc(NC(=O)CN4CCNC4=O)cc3)cn2c1C.
What is the InChIKey of N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide?
The InChIKey is QRZSXOHLAQHICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-11-12(2)25-9-15(21-17(25)23-22-11)13-3-5-14(6-4-13)20-16(26)10-24-8-7-19-18(24)27/h3-6,9H,7-8,10H2,1-2H3,(H,19,27)(H,20,26).
What are the key properties of N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide?
N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide has a molecular weight of 365.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylimidazo[2,1-c][1,2,4]triazin-7-yl)phenyl]-2-(2-oxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 16674977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).