1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one

C19H16FN9O — CID 122196921

IUPAC1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one
SMILESC/C(=N/N1CCNC1=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C19H16FN9O/c1-11(26-28-6-5-22-19(28)30)16-9-23-17-18(24-16)29(27-25-17)10-13-7-12-3-2-4-21-15(12)8-14(13)20/h2-4,7-9H,5-6,10H2,1H3,(H,22,30)/b26-11-
InChIKeyISCCHVIRTOEBAV-RAWMCFOBSA-N
MW405.40 g/mol
LogP1.71
Rot. Bonds4

About 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one

1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one (PubChem CID 122196921) has the molecular formula C19H16FN9O and a molecular weight of 405.40 g/mol. Its IUPAC name is 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one
PubChem CID122196921
Molecular FormulaC19H16FN9O
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one
SMILESC/C(=N/N1CCNC1=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C19H16FN9O/c1-11(26-28-6-5-22-19(28)30)16-9-23-17-18(24-16)29(27-25-17)10-13-7-12-3-2-4-21-15(12)8-14(13)20/h2-4,7-9H,5-6,10H2,1H3,(H,22,30)/b26-11-
InChIKeyISCCHVIRTOEBAV-RAWMCFOBSA-N
XLogP1.71
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
CID 50915994
N-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-4-carboxamide
CID 131730740
N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]pyridine-3-carboxamide
CID 71699929
2-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxy-2-methylpropan-1-ol
CID 86652016
(NE)-N-[1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]ethylidene]hydroxylamine;hydrochloride
CID 136623818
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
sodium;5-bromo-3-N-[(7-fluoroquinolin-6-yl)methyl]pyrazine-2,3-diamine;6-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-7-fluoroquinoline;nitrite;hydrofluoride
CID 158448570
(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 58190517
methyl 2-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate
CID 76720043
(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652054
(E)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 58190528
(Z)-N-[(4-methoxyphenyl)methoxy]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652025

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one?
The IUPAC name of 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one (CID 122196921) is 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one.
What is the SMILES notation for 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one?
The canonical SMILES for 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one is C/C(=N/N1CCNC1=O)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1.
What is the InChIKey of 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one?
The InChIKey is ISCCHVIRTOEBAV-RAWMCFOBSA-N. The full InChI is InChI=1S/C19H16FN9O/c1-11(26-28-6-5-22-19(28)30)16-9-23-17-18(24-16)29(27-25-17)10-13-7-12-3-2-4-21-15(12)8-14(13)20/h2-4,7-9H,5-6,10H2,1H3,(H,22,30)/b26-11-.
What are the key properties of 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one?
1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one has a molecular weight of 405.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]imidazolidin-2-one is sourced from PubChem (CID 122196921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).