5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile

C19H14N8 — CID 25221257

About 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile

5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 25221257) has the molecular formula C19H14N8 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile
• PubChem CID: 25221257
• Molecular Formula: C19H14N8
• Molecular Weight: 354.38 g/mol
• Exact Mass: 354.13
• IUPAC Name: 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile
• SMILES: Cc1ncn(-c2ccc(Nc3nccc(-c4ccc(C#N)nc4)n3)cc2)n1
• InChI: InChI=1S/C19H14N8/c1-13-23-12-27(26-13)17-6-4-15(5-7-17)24-19-21-9-8-18(25-19)14-2-3-16(10-20)22-11-14/h2-9,11-12H,1H3,(H,21,24,25)
• InChIKey: VXTDFRWGPZWJKL-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 105.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.38
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile (CID 25221257) is 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile is Cc1ncn(-c2ccc(Nc3nccc(-c4ccc(C#N)nc4)n3)cc2)n1.

What is the InChIKey of 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile?

The InChIKey is VXTDFRWGPZWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8/c1-13-23-12-27(26-13)17-6-4-15(5-7-17)24-19-21-9-8-18(25-19)14-2-3-16(10-20)22-11-14/h2-9,11-12H,1H3,(H,21,24,25).

What are the key properties of 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile?

5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 354.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(3-methyl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 25221257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).