N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine

C13H17N5O3 — CID 606351

IUPACN,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine
SMILESCOc1cc(-c2nnc(N(C)C)nn2)cc(OC)c1OC
InChIInChI=1S/C13H17N5O3/c1-18(2)13-16-14-12(15-17-13)8-6-9(19-3)11(21-5)10(7-8)20-4/h6-7H,1-5H3
InChIKeyWZKMPWDZLNXMBB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.03
Rot. Bonds5

About N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine

N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine (PubChem CID 606351) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine
PubChem CID606351
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine
SMILESCOc1cc(-c2nnc(N(C)C)nn2)cc(OC)c1OC
InChIInChI=1S/C13H17N5O3/c1-18(2)13-16-14-12(15-17-13)8-6-9(19-3)11(21-5)10(7-8)20-4/h6-7H,1-5H3
InChIKeyWZKMPWDZLNXMBB-UHFFFAOYSA-N
XLogP1.03
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine 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-[6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-yl]propan-1-ol
CID 169409489
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
2-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 141080417
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
1-(2-methoxyphenyl)-3,5-bis(3,4,5-trimethoxyphenyl)pyrazolo[4,5-e][1,2,4]triazine
CID 25271336
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
CID 16767601
[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 66486752
5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine (CID 606351) is N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine is COc1cc(-c2nnc(N(C)C)nn2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine?
The InChIKey is WZKMPWDZLNXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18(2)13-16-14-12(15-17-13)8-6-9(19-3)11(21-5)10(7-8)20-4/h6-7H,1-5H3.
What are the key properties of N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine?
N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine has a molecular weight of 291.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(3,4,5-trimethoxyphenyl)-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 606351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).