6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one

C8H6N4O3 — CID 156679912

IUPAC6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCc1nc2[nH]c(=O)cnc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H6N4O3/c1-4-6(12(14)15)2-5-8(10-4)11-7(13)3-9-5/h2-3H,1H3,(H,10,11,13)
InChIKeyWJVGWZFDUCSHKN-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.53
Rot. Bonds1

About 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one

6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 156679912) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID156679912
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one
SMILESCc1nc2[nH]c(=O)cnc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H6N4O3/c1-4-6(12(14)15)2-5-8(10-4)11-7(13)3-9-5/h2-3H,1H3,(H,10,11,13)
InChIKeyWJVGWZFDUCSHKN-UHFFFAOYSA-N
XLogP0.53
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-5-nitropyridine
CID 345125
N-(6-methylpyridin-2-yl)-N'-(2-nitrophenyl)urea
CID 24761410
N-{4-[(5-nitropyridin-2-yl)amino]phenyl}acetamide
CID 3146300
N-{4-[(6-amino-5-nitropyrimidin-4-yl)amino]phenyl}acetamide
CID 3309390
7-Nitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 10774715
6,7-Dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 10848460
2-Amino-3,5-dinitro-6-methylpyridine
CID 285303
N-[4-(4-Methyl-5-nitro-6-phenylamino-pyrimidin-2-ylamino)-phenyl]-acetamide
CID 4271999
2-ethyl-N-(5-nitropyridin-2-yl)butanamide
CID 2931999
N-{2-[(5-nitro-2-pyridinyl)amino]ethyl}acetamide
CID 2901081
2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 44144258
N-(5-nitropyridin-2-yl)propanamide
CID 3568425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one (CID 156679912) is 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one is Cc1nc2[nH]c(=O)cnc2cc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is WJVGWZFDUCSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c1-4-6(12(14)15)2-5-8(10-4)11-7(13)3-9-5/h2-3H,1H3,(H,10,11,13).
What are the key properties of 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one?
6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 206.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 156679912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).