N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide

C16H19N5O3 — CID 118721557

IUPACN-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
SMILESO=C1CN2C(=NN1)COc1ccc(NC(=O)C3CCNCC3)cc12
InChIInChI=1S/C16H19N5O3/c22-15-8-21-12-7-11(18-16(23)10-3-5-17-6-4-10)1-2-13(12)24-9-14(21)19-20-15/h1-2,7,10,17H,3-6,8-9H2,(H,18,23)(H,20,22)
InChIKeyIANOBBKWTOMOAJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.27
Rot. Bonds2

About N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide

N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide (PubChem CID 118721557) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
PubChem CID118721557
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
SMILESO=C1CN2C(=NN1)COc1ccc(NC(=O)C3CCNCC3)cc12
InChIInChI=1S/C16H19N5O3/c22-15-8-21-12-7-11(18-16(23)10-3-5-17-6-4-10)1-2-13(12)24-9-14(21)19-20-15/h1-2,7,10,17H,3-6,8-9H2,(H,18,23)(H,20,22)
InChIKeyIANOBBKWTOMOAJ-UHFFFAOYSA-N
XLogP0.27
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1,2,4)Triazino(3,4-c)(1,4)benzoxazin-2(1H)-one, 3,5-dihydro-
CID 3071991
(1r)-9-(Azetidin-3-Ylamino)-1,8-Dimethyl-3,5-Dihydro[1,2,4]triazino[3,4-C][1,4]benzoxazin-2(1h)-One
CID 76287526
9-(azetidin-3-ylamino)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 76286333
(1R)-9-(azetidin-3-ylamino)-1-methyl-8-phenyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 76286479
(1S)-9-(azetidin-3-ylamino)-1-methyl-8-phenyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 86727297
(1S)-9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 86727318
9-(azetidin-3-ylamino)-1,8-dimethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 90219670
9-(azetidin-3-ylamino)-1-methyl-8-propan-2-yl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 90220574
9-(azetidin-3-ylamino)-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721560
9-(azetidin-3-ylamino)-1-ethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721561
9-(azetidin-3-ylamino)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721284
9-(pyrrolidin-3-ylamino)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721546

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide (CID 118721557) is N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide is O=C1CN2C(=NN1)COc1ccc(NC(=O)C3CCNCC3)cc12.
What is the InChIKey of N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide?
The InChIKey is IANOBBKWTOMOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-15-8-21-12-7-11(18-16(23)10-3-5-17-6-4-10)1-2-13(12)24-9-14(21)19-20-15/h1-2,7,10,17H,3-6,8-9H2,(H,18,23)(H,20,22).
What are the key properties of N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide?
N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118721557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).