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

C17H21N5O2 — CID 42477165

IUPACN-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1
InChIInChI=1S/C17H21N5O2/c1-4-12(3)18-15(23)14-16(24)22-10-9-21(17(22)20-19-14)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,23)/t12-/m0/s1
InChIKeyMWBOTACODMMJAX-LBPRGKRZSA-N
MW327.39 g/mol
LogP1.63
Rot. Bonds4

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

N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 42477165) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
PubChem CID42477165
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1
InChIInChI=1S/C17H21N5O2/c1-4-12(3)18-15(23)14-16(24)22-10-9-21(17(22)20-19-14)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,23)/t12-/m0/s1
InChIKeyMWBOTACODMMJAX-LBPRGKRZSA-N
XLogP1.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-butan-2-yl]-4-oxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 42477110
N-ethyl-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861128
8-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861258
8-(4-ethoxyphenyl)-N-ethyl-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 16861223
2-[8-(4-methylphenyl)-3,4-dioxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl]acetamide
CID 16898433
7-(4-methylphenyl)-3-propan-2-ylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160462
N-[(2S)-butan-2-yl]-4-[(4-methylphenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159051
8-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3,4-dione
CID 16898427
N-butan-2-yl-4-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 24718340
2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]-1-phenylethanone
CID 41160498
7-(4-methylphenyl)-3-methylsulfanyl-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160459
N-(3-acetamidophenyl)-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
CID 41160346

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide (CID 42477165) is N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is CC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is MWBOTACODMMJAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-12(3)18-15(23)14-16(24)22-10-9-21(17(22)20-19-14)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide?
N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-8-(4-methylphenyl)-4-oxo-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 42477165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).