4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine

C7H15N6+ — CID 146910951

IUPAC4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine
SMILESCCCCNc1nc(N)n[n+](C)n1
InChIInChI=1S/C7H15N6/c1-3-4-5-9-7-10-6(8)11-13(2)12-7/h3-5H2,1-2H3,(H3,8,9,10,11,12)/q+1
InChIKeyHCFKYSXHSRXVAA-UHFFFAOYSA-N
MW183.24 g/mol
LogP-0.51
Rot. Bonds4

About 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine

4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine (PubChem CID 146910951) has the molecular formula C7H15N6+ and a molecular weight of 183.24 g/mol. Its IUPAC name is 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine
PubChem CID146910951
Molecular FormulaC7H15N6+
Molecular Weight183.24 g/mol
Exact Mass183.14
IUPAC Name4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine
SMILESCCCCNc1nc(N)n[n+](C)n1
InChIInChI=1S/C7H15N6/c1-3-4-5-9-7-10-6(8)11-13(2)12-7/h3-5H2,1-2H3,(H3,8,9,10,11,12)/q+1
InChIKeyHCFKYSXHSRXVAA-UHFFFAOYSA-N
XLogP-0.51
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine 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

2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 11972201
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
6-azido-2-N-butyl-1,3,5-triazine-2,4-diamine
CID 110189231
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101120334
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
2-N-(3-aminopropyl)-1,3,5-triazine-2,4,6-triamine
CID 44590289
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine?
The IUPAC name of 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine (CID 146910951) is 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine.
What is the SMILES notation for 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine?
The canonical SMILES for 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine is CCCCNc1nc(N)n[n+](C)n1.
What is the InChIKey of 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine?
The InChIKey is HCFKYSXHSRXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N6/c1-3-4-5-9-7-10-6(8)11-13(2)12-7/h3-5H2,1-2H3,(H3,8,9,10,11,12)/q+1.
What are the key properties of 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine?
4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine has a molecular weight of 183.24 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-methyl-1,2,3,5-tetrazin-2-ium-4,6-diamine is sourced from PubChem (CID 146910951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).