N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C20H23N7 — CID 90281607

About N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 90281607) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• PubChem CID: 90281607
• Molecular Formula: C20H23N7
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.20
• IUPAC Name: N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• SMILES: c1ccc2c(c1)CC(Nc1ncc3c(n1)CCN(CCc1cn[nH]n1)C3)C2
• InChI: InChI=1S/C20H23N7/c1-2-4-15-10-18(9-14(15)3-1)23-20-21-11-16-13-27(8-6-19(16)24-20)7-5-17-12-22-26-25-17/h1-4,11-12,18H,5-10,13H2,(H,21,23,24)(H,22,25,26)
• InChIKey: BBVGGNFURUFISR-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 90281607) is N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is c1ccc2c(c1)CC(Nc1ncc3c(n1)CCN(CCc1cn[nH]n1)C3)C2.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The InChIKey is BBVGGNFURUFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-2-4-15-10-18(9-14(15)3-1)23-20-21-11-16-13-27(8-6-19(16)24-20)7-5-17-12-22-26-25-17/h1-4,11-12,18H,5-10,13H2,(H,21,23,24)(H,22,25,26).

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-6-[2-(2H-triazol-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 90281607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).