N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

C16H19N5O2 — CID 42477110

IUPACN-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C16H19N5O2/c1-3-11(2)17-14(22)13-15(23)21-10-9-20(16(21)19-18-13)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)/t11-/m1/s1
InChIKeyVXQUWAJLNMEVEU-LLVKDONJSA-N
MW313.36 g/mol
LogP1.32
Rot. Bonds4

About N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide

N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 42477110) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
PubChem CID42477110
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C16H19N5O2/c1-3-11(2)17-14(22)13-15(23)21-10-9-20(16(21)19-18-13)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)/t11-/m1/s1
InChIKeyVXQUWAJLNMEVEU-LLVKDONJSA-N
XLogP1.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 42477110) is N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is CC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccccc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is VXQUWAJLNMEVEU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-11(2)17-14(22)13-15(23)21-10-9-20(16(21)19-18-13)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 42477110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).