4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole

C14H11ClFN5 — CID 156784391

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole
SMILESFc1cncc(-c2nc(Cl)n3nc4c(c3n2)CCCC4)c1
InChIInChI=1S/C14H11ClFN5/c15-14-19-12(8-5-9(16)7-17-6-8)18-13-10-3-1-2-4-11(10)20-21(13)14/h5-7H,1-4H2
InChIKeySSXDUQXFQKANCE-UHFFFAOYSA-N
MW303.73 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole

4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole (PubChem CID 156784391) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole
PubChem CID156784391
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole
SMILESFc1cncc(-c2nc(Cl)n3nc4c(c3n2)CCCC4)c1
InChIInChI=1S/C14H11ClFN5/c15-14-19-12(8-5-9(16)7-17-6-8)18-13-10-3-1-2-4-11(10)20-21(13)14/h5-7H,1-4H2
InChIKeySSXDUQXFQKANCE-UHFFFAOYSA-N
XLogP2.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole with MolForge

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Related Compounds

[4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methanol
CID 155220135
4-chloro-2-(5-fluoro-3-pyridinyl)-6-methylpyrimidine
CID 142460364
7-chloro-3-cyclopropyl-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-c]pyrimidine
CID 167320601
2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158049018
2-chloro-11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 18524600
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 114453916
8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 146520640
2-(5-fluoro-3-pyridinyl)-8-N,8-N-dimethyl-4-N-[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]pyrazolo[1,5-a][1,3,5]triazine-4,8-diamine
CID 135376701
2-chloro-11-pyridin-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269909
N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158521162
3-amino-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;6-[[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]-6,8-dihydro-5H-quinolin-7-one;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;(6S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-5,6,7,8-tetrahydroquinolin-6-amine;methane
CID 165017457
3-(4-fluorophenyl)-2-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazole
CID 56691087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole (CID 156784391) is 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole is Fc1cncc(-c2nc(Cl)n3nc4c(c3n2)CCCC4)c1.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole?
The InChIKey is SSXDUQXFQKANCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-14-19-12(8-5-9(16)7-17-6-8)18-13-10-3-1-2-4-11(10)20-21(13)14/h5-7H,1-4H2.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole?
4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole has a molecular weight of 303.73 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-7,8,9,10-tetrahydro-[1,3,5]triazino[1,2-b]indazole is sourced from PubChem (CID 156784391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).