1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea

C18H14F2N6O — CID 146550095

IUPAC1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea
SMILESO=C(Nc1nnc(-c2ccncc2F)c(-c2ccccc2F)n1)NC1CC1
InChIInChI=1S/C18H14F2N6O/c19-13-4-2-1-3-11(13)15-16(12-7-8-21-9-14(12)20)25-26-17(23-15)24-18(27)22-10-5-6-10/h1-4,7-10H,5-6H2,(H2,22,23,24,26,27)
InChIKeyLAYKLQLDAXLULG-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.16
Rot. Bonds4

About 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea

1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea (PubChem CID 146550095) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea
PubChem CID146550095
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea
SMILESO=C(Nc1nnc(-c2ccncc2F)c(-c2ccccc2F)n1)NC1CC1
InChIInChI=1S/C18H14F2N6O/c19-13-4-2-1-3-11(13)15-16(12-7-8-21-9-14(12)20)25-26-17(23-15)24-18(27)22-10-5-6-10/h1-4,7-10H,5-6H2,(H2,22,23,24,26,27)
InChIKeyLAYKLQLDAXLULG-UHFFFAOYSA-N
XLogP3.16
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea with MolForge

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Related Compounds

3-(2-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657230
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37342518
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-(2-fluorophenyl)urea
CID 143575034
N-(3-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-amine
CID 146550074
N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
CID 166371682
2-N-cyclopropyl-4-N-[6-(2-fluorophenyl)pyrazin-2-yl]pyridine-2,4-dicarboxamide
CID 141452902
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
N-cyclopropyl-N'-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]oxamide
CID 71889087

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea (CID 146550095) is 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea is O=C(Nc1nnc(-c2ccncc2F)c(-c2ccccc2F)n1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea?
The InChIKey is LAYKLQLDAXLULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c19-13-4-2-1-3-11(13)15-16(12-7-8-21-9-14(12)20)25-26-17(23-15)24-18(27)22-10-5-6-10/h1-4,7-10H,5-6H2,(H2,22,23,24,26,27).
What are the key properties of 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea?
1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea has a molecular weight of 368.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(2-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-1,2,4-triazin-3-yl]urea is sourced from PubChem (CID 146550095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).