(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol

C13H17N7O — CID 130451155

IUPAC(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol
SMILESC=C1CCC(C)N1C[C@@H](O)c1cnc(-n2cnnn2)cn1
InChIInChI=1S/C13H17N7O/c1-9-3-4-10(2)19(9)7-12(21)11-5-15-13(6-14-11)20-8-16-17-18-20/h5-6,8,10,12,21H,1,3-4,7H2,2H3/t10?,12-/m1/s1
InChIKeyQYDMSZQTGMJRAT-TVKKRMFBSA-N
MW287.33 g/mol
LogP0.48
Rot. Bonds4

About (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol

(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol (PubChem CID 130451155) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol
PubChem CID130451155
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol
SMILESC=C1CCC(C)N1C[C@@H](O)c1cnc(-n2cnnn2)cn1
InChIInChI=1S/C13H17N7O/c1-9-3-4-10(2)19(9)7-12(21)11-5-15-13(6-14-11)20-8-16-17-18-20/h5-6,8,10,12,21H,1,3-4,7H2,2H3/t10?,12-/m1/s1
InChIKeyQYDMSZQTGMJRAT-TVKKRMFBSA-N
XLogP0.48
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol?
The IUPAC name of (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol (CID 130451155) is (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol.
What is the SMILES notation for (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol?
The canonical SMILES for (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol is C=C1CCC(C)N1C[C@@H](O)c1cnc(-n2cnnn2)cn1.
What is the InChIKey of (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol?
The InChIKey is QYDMSZQTGMJRAT-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H17N7O/c1-9-3-4-10(2)19(9)7-12(21)11-5-15-13(6-14-11)20-8-16-17-18-20/h5-6,8,10,12,21H,1,3-4,7H2,2H3/t10?,12-/m1/s1.
What are the key properties of (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol?
(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol has a molecular weight of 287.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 130451155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).