2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C18H23N7O2 — CID 18613691

About 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 18613691) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 18613691
• Molecular Formula: C18H23N7O2
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.19
• IUPAC Name: 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: COC1(CN2CCN(c3cc4nc(-c5ccco5)nn4c(N)n3)CC2)CC1
• InChI: InChI=1S/C18H23N7O2/c1-26-18(4-5-18)12-23-6-8-24(9-7-23)14-11-15-20-16(13-3-2-10-27-13)22-25(15)17(19)21-14/h2-3,10-11H,4-9,12H2,1H3,(H2,19,21)
• InChIKey: VDFVQHBAXWEPTR-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 97.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 18613691) is 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COC1(CN2CCN(c3cc4nc(-c5ccco5)nn4c(N)n3)CC2)CC1.

What is the InChIKey of 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is VDFVQHBAXWEPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-26-18(4-5-18)12-23-6-8-24(9-7-23)14-11-15-20-16(13-3-2-10-27-13)22-25(15)17(19)21-14/h2-3,10-11H,4-9,12H2,1H3,(H2,19,21).

What are the key properties of 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 369.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-7-[4-[(1-methoxycyclopropyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 18613691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).