N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine

C7H13N5S — CID 86160061

IUPACN-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
SMILESCCCCNc1nnc(SC)nn1
InChIInChI=1S/C7H13N5S/c1-3-4-5-8-6-9-11-7(13-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyQMORXYAMNVWXNP-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.20
Rot. Bonds5

About N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine

N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine (PubChem CID 86160061) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
PubChem CID86160061
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC NameN-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
SMILESCCCCNc1nnc(SC)nn1
InChIInChI=1S/C7H13N5S/c1-3-4-5-8-6-9-11-7(13-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyQMORXYAMNVWXNP-UHFFFAOYSA-N
XLogP1.20
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-6-methylsulfanyl-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

6-(Methylsulfanyl)-N-(pent-4-yn-1-yl)-1,2,4,5-tetrazin-3-amine
CID 13311512
N-hex-5-ynyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 13641979
N-Hexyl-6-(methylsulfanyl)-1,2,4,5-tetrazin-3-amine
CID 53904183
N-but-3-ynyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 10559761
N-butyl-6-chloro-1,2,4,5-tetrazin-3-amine
CID 85875168
6-methylsulfanyl-N-octyl-1,2,4,5-tetrazin-3-amine
CID 86160078
6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine
CID 110191378
6-methylsulfanyl-N-(3-methylsulfanylpropyl)-1,2,4,5-tetrazin-3-amine
CID 110192061
N'-(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)hexane-1,6-diamine
CID 110192062
N-dodecyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 110192063
N-(2-methylpropyl)-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine
CID 129930067

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine (CID 86160061) is N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine is CCCCNc1nnc(SC)nn1.
What is the InChIKey of N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is QMORXYAMNVWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-3-4-5-8-6-9-11-7(13-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine?
N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 199.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methylsulfanyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 86160061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).