cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol

C16H17N5O2 — CID 66725297

About cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol

cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol (PubChem CID 66725297) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
• PubChem CID: 66725297
• Molecular Formula: C16H17N5O2
• Molecular Weight: 311.34 g/mol
• Exact Mass: 311.14
• IUPAC Name: cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
• SMILES: Nc1ncc(O[C@H]2CC[C@@H](O)C2)nc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C16H17N5O2/c17-15-14(16-19-11-3-1-2-4-12(11)20-16)21-13(8-18-15)23-10-6-5-9(22)7-10/h1-4,8-10,22H,5-7H2,(H2,17,18)(H,19,20)/t9-,10+/m1/s1
• InChIKey: RZHBURYFBJPGIG-ZJUUUORDSA-N
• XLogP: 1.89
• TPSA: 109.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.34
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol?

The IUPAC name of cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol (CID 66725297) is cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol.

What is the SMILES notation for cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol?

The canonical SMILES for cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol is Nc1ncc(O[C@H]2CC[C@@H](O)C2)nc1-c1nc2ccccc2[nH]1.

What is the InChIKey of cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol?

The InChIKey is RZHBURYFBJPGIG-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-15-14(16-19-11-3-1-2-4-12(11)20-16)21-13(8-18-15)23-10-6-5-9(22)7-10/h1-4,8-10,22H,5-7H2,(H2,17,18)(H,19,20)/t9-,10+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol?

cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol has a molecular weight of 311.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol is sourced from PubChem (CID 66725297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).