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

C17H21N5O3 — CID 118721558

IUPAC1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc3c(c2)N2CC(=O)NN=C2CO3)CC1
InChIInChI=1S/C17H21N5O3/c1-21-6-4-11(5-7-21)17(24)18-12-2-3-14-13(8-12)22-9-16(23)20-19-15(22)10-25-14/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)(H,20,23)
InChIKeyBYRCCHONQYPNFY-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.61
Rot. Bonds2

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

1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide (PubChem CID 118721558) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-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 Name1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
PubChem CID118721558
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc3c(c2)N2CC(=O)NN=C2CO3)CC1
InChIInChI=1S/C17H21N5O3/c1-21-6-4-11(5-7-21)17(24)18-12-2-3-14-13(8-12)22-9-16(23)20-19-15(22)10-25-14/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)(H,20,23)
InChIKeyBYRCCHONQYPNFY-UHFFFAOYSA-N
XLogP0.61
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
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-[(1,3-Dimethylazetidin-3-Yl)(Methyl)amino]-1-Methyl-8-Phenyl-3,5-Dihydro[1,2,4]triazino[3,4-C][1,4]benzoxazin-2(1h)-One
CID 76286478
(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-[(1,3-dimethylazetidin-3-yl)amino]-1-methyl-8-phenyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 76285725
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-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 1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide (CID 118721558) is 1-methyl-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 1-methyl-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 1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc3c(c2)N2CC(=O)NN=C2CO3)CC1.
What is the InChIKey of 1-methyl-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 BYRCCHONQYPNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-6-4-11(5-7-21)17(24)18-12-2-3-14-13(8-12)22-9-16(23)20-19-15(22)10-25-14/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)(H,20,23).
What are the key properties of 1-methyl-N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide?
1-methyl-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 343.39 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-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 118721558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).