2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine

C11H8Cl2N6O — CID 178019492

IUPAC2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1c(Nc2nc(Cl)nn3ccnc23)ccnc1Cl
InChIInChI=1S/C11H8Cl2N6O/c1-20-7-6(2-3-14-8(7)12)16-9-10-15-4-5-19(10)18-11(13)17-9/h2-5H,1H3,(H,14,16,17,18)
InChIKeyHIKRJTHIAIPRIZ-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.58
Rot. Bonds3

About 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine

2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 178019492) has the molecular formula C11H8Cl2N6O and a molecular weight of 311.13 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID178019492
Molecular FormulaC11H8Cl2N6O
Molecular Weight311.13 g/mol
Exact Mass310.01
IUPAC Name2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1c(Nc2nc(Cl)nn3ccnc23)ccnc1Cl
InChIInChI=1S/C11H8Cl2N6O/c1-20-7-6(2-3-14-8(7)12)16-9-10-15-4-5-19(10)18-11(13)17-9/h2-5H,1H3,(H,14,16,17,18)
InChIKeyHIKRJTHIAIPRIZ-UHFFFAOYSA-N
XLogP2.58
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 141386417
1-chloro-5-methoxyisoquinolin-6-ol
CID 136600108
6-bromo-N-(2-chloro-5-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958526
4-but-3-enoxy-2-chloroimidazo[2,1-f][1,2,4]triazine
CID 163278334
8-N-cyclopropyl-6-N-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
CID 121419427
N-(2-chloro-5-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80900641
N-(5-chloro-2-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80912403
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylic acid
CID 166064429
2-chloro-4-(1H-indol-3-yl)imidazo[2,1-f][1,2,4]triazine
CID 163210234
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87058900
2-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002701
6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine
CID 86611708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 178019492) is 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine is COc1c(Nc2nc(Cl)nn3ccnc23)ccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is HIKRJTHIAIPRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N6O/c1-20-7-6(2-3-14-8(7)12)16-9-10-15-4-5-19(10)18-11(13)17-9/h2-5H,1H3,(H,14,16,17,18).
What are the key properties of 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 311.13 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 178019492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).