7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C19H16N8 — CID 66714105

IUPAC7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCn1cc(-c2ccc3cnc(Nc4cccc(-n5cccn5)c4)nn23)cn1
InChIInChI=1S/C19H16N8/c1-25-13-14(11-22-25)18-7-6-17-12-20-19(24-27(17)18)23-15-4-2-5-16(10-15)26-9-3-8-21-26/h2-13H,1H3,(H,23,24)
InChIKeyCVZXJGMOOFVZJC-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.06
Rot. Bonds4

About 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 66714105) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID66714105
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCn1cc(-c2ccc3cnc(Nc4cccc(-n5cccn5)c4)nn23)cn1
InChIInChI=1S/C19H16N8/c1-25-13-14(11-22-25)18-7-6-17-12-20-19(24-27(17)18)23-15-4-2-5-16(10-15)26-9-3-8-21-26/h2-13H,1H3,(H,23,24)
InChIKeyCVZXJGMOOFVZJC-UHFFFAOYSA-N
XLogP3.06
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 66714105) is 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is Cn1cc(-c2ccc3cnc(Nc4cccc(-n5cccn5)c4)nn23)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is CVZXJGMOOFVZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-25-13-14(11-22-25)18-7-6-17-12-20-19(24-27(17)18)23-15-4-2-5-16(10-15)26-9-3-8-21-26/h2-13H,1H3,(H,23,24).
What are the key properties of 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 356.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 66714105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).