2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one

C10H13BrN4O — CID 82058616

IUPAC2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESNCCCN1N=C2C=CC(Br)=CN2CC1=O
InChIInChI=1S/C10H13BrN4O/c11-8-2-3-9-13-15(5-1-4-12)10(16)7-14(9)6-8/h2-3,6H,1,4-5,7,12H2
InChIKeyVWGQABXNMUUXLL-UHFFFAOYSA-N
MW285.14 g/mol
LogP0.60
Rot. Bonds3

About 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one

2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one (PubChem CID 82058616) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one
PubChem CID82058616
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESNCCCN1N=C2C=CC(Br)=CN2CC1=O
InChIInChI=1S/C10H13BrN4O/c11-8-2-3-9-13-15(5-1-4-12)10(16)7-14(9)6-8/h2-3,6H,1,4-5,7,12H2
InChIKeyVWGQABXNMUUXLL-UHFFFAOYSA-N
XLogP0.60
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-methylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
CID 82144179
1-(3-aminopropyl)-4-methylpiperazine-2,5-dione
CID 79937549
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
1,7,13-tris(3-aminopropyl)-4,10,16-tris[(3,5-dimethylphenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 71745000
1,7-bis(3-aminopropyl)-4,10,13-tris[(3,5-dimethylphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 90445256
1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
2-(2-aminoethyl)-5-cyclobutyl-4H-pyrazol-3-one
CID 84718546
2-(3-aminopropyl)oxazinan-3-one
CID 105430957
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
4-(3-aminopropyl)-5,7-difluoro-1,4-benzoxazin-3-one
CID 84630179
1-(3-aminopropyl)-4-methylpiperidine-2,6-dione
CID 62932770
1-(3-aminopropyl)-5-methylidenepyrrol-2-one
CID 145076519

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one (CID 82058616) is 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one is NCCCN1N=C2C=CC(Br)=CN2CC1=O.
What is the InChIKey of 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The InChIKey is VWGQABXNMUUXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-8-2-3-9-13-15(5-1-4-12)10(16)7-14(9)6-8/h2-3,6H,1,4-5,7,12H2.
What are the key properties of 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one has a molecular weight of 285.14 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-7-bromo-4H-pyrido[2,1-c][1,2,4]triazin-3-one is sourced from PubChem (CID 82058616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).