5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C14H15N7 — CID 171551277

About 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551277) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
• PubChem CID: 171551277
• Molecular Formula: C14H15N7
• Molecular Weight: 281.32 g/mol
• Exact Mass: 281.14
• IUPAC Name: 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
• SMILES: C/C=N/c1ccc(-c2ccn3nc(N)nc(N)c23)nc1C
• InChI: InChI=1S/C14H15N7/c1-3-17-10-4-5-11(18-8(10)2)9-6-7-21-12(9)13(15)19-14(16)20-21/h3-7H,1-2H3,(H4,15,16,19,20)/b17-3+
• InChIKey: ODWCZLSXVQMCAS-IJUHEHPCSA-N
• XLogP: 1.99
• TPSA: 107.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.32
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The IUPAC name of 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551277) is 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

What is the SMILES notation for 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The canonical SMILES for 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is C/C=N/c1ccc(-c2ccn3nc(N)nc(N)c23)nc1C.

What is the InChIKey of 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

The InChIKey is ODWCZLSXVQMCAS-IJUHEHPCSA-N. The full InChI is InChI=1S/C14H15N7/c1-3-17-10-4-5-11(18-8(10)2)9-6-7-21-12(9)13(15)19-14(16)20-21/h3-7H,1-2H3,(H4,15,16,19,20)/b17-3+.

What are the key properties of 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?

5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(ethylideneamino)-6-methyl-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).