N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H19N7S — CID 107765891

IUPACN-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(SCCC(C)C)nc(-n2cncn2)n1
InChIInChI=1S/C12H19N7S/c1-4-14-10-16-11(19-8-13-7-15-19)18-12(17-10)20-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,14,16,17,18)
InChIKeyNWBWKNZFWRRYPI-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.02
Rot. Bonds7

About N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 107765891) has the molecular formula C12H19N7S and a molecular weight of 293.40 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID107765891
Molecular FormulaC12H19N7S
Molecular Weight293.40 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(SCCC(C)C)nc(-n2cncn2)n1
InChIInChI=1S/C12H19N7S/c1-4-14-10-16-11(19-8-13-7-15-19)18-12(17-10)20-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,14,16,17,18)
InChIKeyNWBWKNZFWRRYPI-UHFFFAOYSA-N
XLogP2.02
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-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

N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
4-(2-methylbutylsulfanyl)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765721
4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887405
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
N-ethyl-4-(1,2,4-triazol-1-yl)-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80884418
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-butan-2-ylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887639
2-N-ethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 115988800

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 107765891) is N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(SCCC(C)C)nc(-n2cncn2)n1.
What is the InChIKey of N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is NWBWKNZFWRRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7S/c1-4-14-10-16-11(19-8-13-7-15-19)18-12(17-10)20-6-5-9(2)3/h7-9H,4-6H2,1-3H3,(H,14,16,17,18).
What are the key properties of N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 293.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylbutylsulfanyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).