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

C16H17N5O2 — CID 66725297

IUPACcis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
SMILESNc1ncc(O[C@H]2CC[C@@H](O)C2)nc1-c1nc2ccccc2[nH]1
InChIInChI=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
InChIKeyRZHBURYFBJPGIG-ZJUUUORDSA-N
MW311.34 g/mol
LogP1.89
Rot. Bonds3

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 Namecis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
PubChem CID66725297
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Namecis-(1R,3S)-3-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]oxycyclopentan-1-ol
SMILESNc1ncc(O[C@H]2CC[C@@H](O)C2)nc1-c1nc2ccccc2[nH]1
InChIInChI=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
InChIKeyRZHBURYFBJPGIG-ZJUUUORDSA-N
XLogP1.89
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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).