3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol

C14H18N4O4 — CID 169409489

IUPAC3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol
SMILESCOc1cc(-c2nnc(CCCO)nn2)cc(OC)c1OC
InChIInChI=1S/C14H18N4O4/c1-20-10-7-9(8-11(21-2)13(10)22-3)14-17-15-12(16-18-14)5-4-6-19/h7-8,19H,4-6H2,1-3H3
InChIKeyULULMLNCAKVNCL-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.88
Rot. Bonds7

About 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol

3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol (PubChem CID 169409489) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol
PubChem CID169409489
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol
SMILESCOc1cc(-c2nnc(CCCO)nn2)cc(OC)c1OC
InChIInChI=1S/C14H18N4O4/c1-20-10-7-9(8-11(21-2)13(10)22-3)14-17-15-12(16-18-14)5-4-6-19/h7-8,19H,4-6H2,1-3H3
InChIKeyULULMLNCAKVNCL-UHFFFAOYSA-N
XLogP0.88
TPSA99.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]propan-1-ol
CID 18674981
N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine
CID 606351
3-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]propan-1-ol
CID 18674989
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201271
5-butyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 73333273
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol?
The IUPAC name of 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol (CID 169409489) is 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol is COc1cc(-c2nnc(CCCO)nn2)cc(OC)c1OC.
What is the InChIKey of 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol?
The InChIKey is ULULMLNCAKVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-20-10-7-9(8-11(21-2)13(10)22-3)14-17-15-12(16-18-14)5-4-6-19/h7-8,19H,4-6H2,1-3H3.
What are the key properties of 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol?
3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol has a molecular weight of 306.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol is sourced from PubChem (CID 169409489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).