4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol

C9H8N4O — CID 135712912

IUPAC4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)O
InChIInChI=1S/C9H8N4O/c1-6-10-12-9(13-11-6)7-2-4-8(14)5-3-7/h2-5,14H,1H3
InChIKeyWQYZHGNJBULAME-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.30
Rot. Bonds1

About 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol

4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol (PubChem CID 135712912) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol.

Molecular Properties

Compound Name4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol
PubChem CID135712912
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)O
InChIInChI=1S/C9H8N4O/c1-6-10-12-9(13-11-6)7-2-4-8(14)5-3-7/h2-5,14H,1H3
InChIKeyWQYZHGNJBULAME-UHFFFAOYSA-N
XLogP0.30
TPSA71.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
3,3'-(1,2,4,5-Tetrazine-3,6-diyl)diphenol
CID 269792
Phenol, 4,4'-(1,2,4,5-tetrazine-3,6-diyl)bis-
CID 300451
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
4-(1H-1,2,3,4-tetrazol-5-yl)phenol
CID 863634
Win 58768
CID 148372
4-[2-(3-Iodoprop-2-ynyl)tetrazol-5-yl]phenol
CID 497166
2-(5-(4-hydroxyphenyl)-2H-tetrazol-2-yl)acetic acid
CID 135648959
2,6-Dimethyl-4-(5-phenyl-tetrazol-2-ylmethyl)-phenol
CID 706750
3-(4-Methoxyphenyl)-6-methyl-1,2,4,5-tetrazine
CID 12288274
6,6'-(1,2-Dihydro-1,2,4,5-tetrazine-3,6-diylidene)di(cyclohexa-2,4-dien-1-one)
CID 136229799
2-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 162406556

Frequently Asked Questions

What is the IUPAC name of 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol?
The IUPAC name of 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol (CID 135712912) is 4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol.
What is the SMILES notation for 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol?
The canonical SMILES for 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol is CC1=NN=C(N=N1)C2=CC=C(C=C2)O.
What is the InChIKey of 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol?
The InChIKey is WQYZHGNJBULAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6-10-12-9(13-11-6)7-2-4-8(14)5-3-7/h2-5,14H,1H3.
What are the key properties of 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol?
4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol has a molecular weight of 188.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenol is sourced from PubChem (CID 135712912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).