N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

C19H23N5O2 — CID 16861098

IUPACN-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1nnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C19H23N5O2/c25-17(20-14-8-4-1-2-5-9-14)16-18(26)24-13-12-23(19(24)22-21-16)15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,20,25)
InChIKeyKQSSEDCNYASJOM-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.24
Rot. Bonds3

About N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 16861098) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
PubChem CID16861098
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1nnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C19H23N5O2/c25-17(20-14-8-4-1-2-5-9-14)16-18(26)24-13-12-23(19(24)22-21-16)15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,20,25)
InChIKeyKQSSEDCNYASJOM-UHFFFAOYSA-N
XLogP2.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 16861098) is N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is O=C(NC1CCCCCC1)c1nnc2n(c1=O)CCN2c1ccccc1.
What is the InChIKey of N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is KQSSEDCNYASJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(20-14-8-4-1-2-5-9-14)16-18(26)24-13-12-23(19(24)22-21-16)15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2,(H,20,25).
What are the key properties of N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 16861098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).