[4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol

C14H12N6O2 — CID 129012185

IUPAC[4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol
SMILESOCc1cc(-c2nnc(-c3ccnc(CO)c3)nn2)ccn1
InChIInChI=1S/C14H12N6O2/c21-7-11-5-9(1-3-15-11)13-17-19-14(20-18-13)10-2-4-16-12(6-10)8-22/h1-6,21-22H,7-8H2
InChIKeyNHMFZTQRUCTPBY-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.38
Rot. Bonds4

About [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol

[4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol (PubChem CID 129012185) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol
PubChem CID129012185
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name[4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol
SMILESOCc1cc(-c2nnc(-c3ccnc(CO)c3)nn2)ccn1
InChIInChI=1S/C14H12N6O2/c21-7-11-5-9(1-3-15-11)13-17-19-14(20-18-13)10-2-4-16-12(6-10)8-22/h1-6,21-22H,7-8H2
InChIKeyNHMFZTQRUCTPBY-UHFFFAOYSA-N
XLogP0.38
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol (CID 129012185) is [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol is OCc1cc(-c2nnc(-c3ccnc(CO)c3)nn2)ccn1.
What is the InChIKey of [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol?
The InChIKey is NHMFZTQRUCTPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c21-7-11-5-9(1-3-15-11)13-17-19-14(20-18-13)10-2-4-16-12(6-10)8-22/h1-6,21-22H,7-8H2.
What are the key properties of [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol?
[4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol has a molecular weight of 296.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4,5-tetrazin-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 129012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).