[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone

C21H23N7O — CID 75470359

About [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone (PubChem CID 75470359) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone.

Molecular Properties

• Compound Name: [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
• PubChem CID: 75470359
• Molecular Formula: C21H23N7O
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.20
• IUPAC Name: [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
• SMILES: O=C(c1cccc(Nc2cnccn2)c1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
• InChI: InChI=1S/C21H23N7O/c29-21(15-3-1-5-17(11-15)24-18-12-22-8-9-23-18)28-10-2-4-16(13-28)20-25-19(26-27-20)14-6-7-14/h1,3,5,8-9,11-12,14,16H,2,4,6-7,10,13H2,(H,23,24)(H,25,26,27)
• InChIKey: NMXWXEDZXJANMF-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?

The IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone (CID 75470359) is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone.

What is the SMILES notation for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?

The canonical SMILES for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone is O=C(c1cccc(Nc2cnccn2)c1)N1CCCC(c2n[nH]c(C3CC3)n2)C1.

What is the InChIKey of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?

The InChIKey is NMXWXEDZXJANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c29-21(15-3-1-5-17(11-15)24-18-12-22-8-9-23-18)28-10-2-4-16(13-28)20-25-19(26-27-20)14-6-7-14/h1,3,5,8-9,11-12,14,16H,2,4,6-7,10,13H2,(H,23,24)(H,25,26,27).

What are the key properties of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone?

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone has a molecular weight of 389.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone is sourced from PubChem (CID 75470359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).