1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol

C15H14N10O2 — CID 70054349

IUPAC1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol
SMILESOC(COCc1nnnn1-c1ccccn1)c1nnnn1-c1cccnc1
InChIInChI=1S/C15H14N10O2/c26-12(15-19-21-22-24(15)11-4-3-6-16-8-11)9-27-10-14-18-20-23-25(14)13-5-1-2-7-17-13/h1-8,12,26H,9-10H2
InChIKeyGDNQOQOHYCTHQJ-UHFFFAOYSA-N
MW366.35 g/mol
LogP-0.32
Rot. Bonds7

About 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol

1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol (PubChem CID 70054349) has the molecular formula C15H14N10O2 and a molecular weight of 366.35 g/mol. Its IUPAC name is 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol.

Molecular Properties

Compound Name1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol
PubChem CID70054349
Molecular FormulaC15H14N10O2
Molecular Weight366.35 g/mol
Exact Mass366.13
IUPAC Name1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol
SMILESOC(COCc1nnnn1-c1ccccn1)c1nnnn1-c1cccnc1
InChIInChI=1S/C15H14N10O2/c26-12(15-19-21-22-24(15)11-4-3-6-16-8-11)9-27-10-14-18-20-23-25(14)13-5-1-2-7-17-13/h1-8,12,26H,9-10H2
InChIKeyGDNQOQOHYCTHQJ-UHFFFAOYSA-N
XLogP-0.32
TPSA142.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol?
The IUPAC name of 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol (CID 70054349) is 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol.
What is the SMILES notation for 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol?
The canonical SMILES for 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol is OC(COCc1nnnn1-c1ccccn1)c1nnnn1-c1cccnc1.
What is the InChIKey of 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol?
The InChIKey is GDNQOQOHYCTHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N10O2/c26-12(15-19-21-22-24(15)11-4-3-6-16-8-11)9-27-10-14-18-20-23-25(14)13-5-1-2-7-17-13/h1-8,12,26H,9-10H2.
What are the key properties of 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol?
1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol has a molecular weight of 366.35 g/mol, XLogP of -0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-yltetrazol-5-yl)-2-[(1-pyridin-2-yltetrazol-5-yl)methoxy]ethanol is sourced from PubChem (CID 70054349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).