(2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde

C8H8N6O2 — CID 118677048

IUPAC(2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde
SMILESCO[C@H](C=O)c1cnc(-n2cnnn2)cn1
InChIInChI=1S/C8H8N6O2/c1-16-7(4-15)6-2-10-8(3-9-6)14-5-11-12-13-14/h2-5,7H,1H3/t7-/m1/s1
InChIKeyQYDRQUORZIZBIY-SSDOTTSWSA-N
MW220.19 g/mol
LogP-0.66
Rot. Bonds4

About (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde

(2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde (PubChem CID 118677048) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde
PubChem CID118677048
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde
SMILESCO[C@H](C=O)c1cnc(-n2cnnn2)cn1
InChIInChI=1S/C8H8N6O2/c1-16-7(4-15)6-2-10-8(3-9-6)14-5-11-12-13-14/h2-5,7H,1H3/t7-/m1/s1
InChIKeyQYDRQUORZIZBIY-SSDOTTSWSA-N
XLogP-0.66
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde?
The IUPAC name of (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde (CID 118677048) is (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde?
The canonical SMILES for (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde is CO[C@H](C=O)c1cnc(-n2cnnn2)cn1.
What is the InChIKey of (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde?
The InChIKey is QYDRQUORZIZBIY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-16-7(4-15)6-2-10-8(3-9-6)14-5-11-12-13-14/h2-5,7H,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde?
(2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde has a molecular weight of 220.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]acetaldehyde is sourced from PubChem (CID 118677048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).