5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine

C15H23N7 — CID 112944740

About 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine

5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112944740) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

• Compound Name: 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
• PubChem CID: 112944740
• Molecular Formula: C15H23N7
• Molecular Weight: 301.40 g/mol
• Exact Mass: 301.20
• IUPAC Name: 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
• SMILES: CN(C)CCNc1cnnc(N(C)CCc2ccncc2)n1
• InChI: InChI=1S/C15H23N7/c1-21(2)11-9-17-14-12-18-20-15(19-14)22(3)10-6-13-4-7-16-8-5-13/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,19,20)
• InChIKey: ZGGWVWOUKFABNL-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 70.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.40
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?

The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112944740) is 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?

The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine is CN(C)CCNc1cnnc(N(C)CCc2ccncc2)n1.

What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?

The InChIKey is ZGGWVWOUKFABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-21(2)11-9-17-14-12-18-20-15(19-14)22(3)10-6-13-4-7-16-8-5-13/h4-5,7-8,12H,6,9-11H2,1-3H3,(H,17,19,20).

What are the key properties of 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?

5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 301.40 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[2-(dimethylamino)ethyl]-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112944740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).