6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H20N8S — CID 80888160

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2nnc(C)n2C)nc(N(C)C)n1
InChIInChI=1S/C12H20N8S/c1-6-7-13-9-14-10(19(3)4)16-11(15-9)21-12-18-17-8(2)20(12)5/h6-7H2,1-5H3,(H,13,14,15,16)
InChIKeyXWCKTFSUZDFTTD-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.35
Rot. Bonds6

About 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80888160) has the molecular formula C12H20N8S and a molecular weight of 308.42 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80888160
Molecular FormulaC12H20N8S
Molecular Weight308.42 g/mol
Exact Mass308.15
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Sc2nnc(C)n2C)nc(N(C)C)n1
InChIInChI=1S/C12H20N8S/c1-6-7-13-9-14-10(19(3)4)16-11(15-9)21-12-18-17-8(2)20(12)5/h6-7H2,1-5H3,(H,13,14,15,16)
InChIKeyXWCKTFSUZDFTTD-UHFFFAOYSA-N
XLogP1.35
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80930075
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890568
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80887790
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
CID 113368229
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80892759

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80888160) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Sc2nnc(C)n2C)nc(N(C)C)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XWCKTFSUZDFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8S/c1-6-7-13-9-14-10(19(3)4)16-11(15-9)21-12-18-17-8(2)20(12)5/h6-7H2,1-5H3,(H,13,14,15,16).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 308.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80888160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).