(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone

C16H10F2N6O — CID 66984745

IUPAC(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
SMILESO=C(c1nc(Nc2ccn[nH]2)n2cccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C16H10F2N6O/c17-9-3-4-10(11(18)8-9)14(25)15-21-13-2-1-7-24(13)16(22-15)20-12-5-6-19-23-12/h1-8H,(H2,19,20,21,22,23)
InChIKeyRBSYOMIZARJQCH-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.71
Rot. Bonds4

About (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone

(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone (PubChem CID 66984745) has the molecular formula C16H10F2N6O and a molecular weight of 340.29 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
PubChem CID66984745
Molecular FormulaC16H10F2N6O
Molecular Weight340.29 g/mol
Exact Mass340.09
IUPAC Name(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
SMILESO=C(c1nc(Nc2ccn[nH]2)n2cccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C16H10F2N6O/c17-9-3-4-10(11(18)8-9)14(25)15-21-13-2-1-7-24(13)16(22-15)20-12-5-6-19-23-12/h1-8H,(H2,19,20,21,22,23)
InChIKeyRBSYOMIZARJQCH-UHFFFAOYSA-N
XLogP2.71
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone (CID 66984745) is (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone is O=C(c1nc(Nc2ccn[nH]2)n2cccc2n1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone?
The InChIKey is RBSYOMIZARJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6O/c17-9-3-4-10(11(18)8-9)14(25)15-21-13-2-1-7-24(13)16(22-15)20-12-5-6-19-23-12/h1-8H,(H2,19,20,21,22,23).
What are the key properties of (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone?
(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone has a molecular weight of 340.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone is sourced from PubChem (CID 66984745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).