4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C11H18N8S — CID 32802034

IUPAC4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(-n2cnc(SC)n2)n1
InChIInChI=1S/C11H18N8S/c1-5-12-8-15-9(14-7(2)3)17-10(16-8)19-6-13-11(18-19)20-4/h6-7H,5H2,1-4H3,(H2,12,14,15,16,17)
InChIKeyAJTWSFJQAKDENH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.43
Rot. Bonds6

About 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 32802034) has the molecular formula C11H18N8S and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID32802034
Molecular FormulaC11H18N8S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Name4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)C)nc(-n2cnc(SC)n2)n1
InChIInChI=1S/C11H18N8S/c1-5-12-8-15-9(14-7(2)3)17-10(16-8)19-6-13-11(18-19)20-4/h6-7H,5H2,1-4H3,(H2,12,14,15,16,17)
InChIKeyAJTWSFJQAKDENH-UHFFFAOYSA-N
XLogP1.43
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32802515
6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-2-N-butan-2-yl-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 45133323
methyl 2-[[1-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802326
2-N,4-N-diethyl-6-[3-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 32802996
ethyl 2-[[1-[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 32802418
2-N,4-N-diethyl-6-[3-[2-(2-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 32802897
methyl 2-[[1-[4-(azepan-1-yl)-6-(ethylamino)-1,3,5-triazin-2-yl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841679
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80792439
N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
4-N-[(2-bromo-1,3-thiazol-5-yl)methyl]-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654545
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80788657

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 32802034) is 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)C)nc(-n2cnc(SC)n2)n1.
What is the InChIKey of 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AJTWSFJQAKDENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8S/c1-5-12-8-15-9(14-7(2)3)17-10(16-8)19-6-13-11(18-19)20-4/h6-7H,5H2,1-4H3,(H2,12,14,15,16,17).
What are the key properties of 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 32802034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).