N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine

C16H20N14 — CID 10763953

IUPACN,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine
SMILESCc1cc(C)n(-c2nnc(NCCNc3nnc(-n4nc(C)cc4C)nn3)nn2)n1
InChIInChI=1S/C16H20N14/c1-9-7-11(3)29(27-9)15-23-19-13(20-24-15)17-5-6-18-14-21-25-16(26-22-14)30-12(4)8-10(2)28-30/h7-8H,5-6H2,1-4H3,(H,17,19,20)(H,18,21,22)
InChIKeyWHFSZGMJNVFBKB-UHFFFAOYSA-N
MW408.43 g/mol
LogP-0.02
Rot. Bonds7

About N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine

N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine (PubChem CID 10763953) has the molecular formula C16H20N14 and a molecular weight of 408.43 g/mol. Its IUPAC name is N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine
PubChem CID10763953
Molecular FormulaC16H20N14
Molecular Weight408.43 g/mol
Exact Mass408.20
IUPAC NameN,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine
SMILESCc1cc(C)n(-c2nnc(NCCNc3nnc(-n4nc(C)cc4C)nn3)nn2)n1
InChIInChI=1S/C16H20N14/c1-9-7-11(3)29(27-9)15-23-19-13(20-24-15)17-5-6-18-14-21-25-16(26-22-14)30-12(4)8-10(2)28-30/h7-8H,5-6H2,1-4H3,(H,17,19,20)(H,18,21,22)
InChIKeyWHFSZGMJNVFBKB-UHFFFAOYSA-N
XLogP-0.02
TPSA162.82 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine (CID 10763953) is N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine is Cc1cc(C)n(-c2nnc(NCCNc3nnc(-n4nc(C)cc4C)nn3)nn2)n1.
What is the InChIKey of N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine?
The InChIKey is WHFSZGMJNVFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N14/c1-9-7-11(3)29(27-9)15-23-19-13(20-24-15)17-5-6-18-14-21-25-16(26-22-14)30-12(4)8-10(2)28-30/h7-8H,5-6H2,1-4H3,(H,17,19,20)(H,18,21,22).
What are the key properties of N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine?
N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine has a molecular weight of 408.43 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 10763953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).