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

C9H14N8S — CID 104604969

IUPAC2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2ncnn2C)nc(N(C)C)n1
InChIInChI=1S/C9H14N8S/c1-10-6-13-7(16(2)3)15-8(14-6)18-9-11-5-12-17(9)4/h5H,1-4H3,(H,10,13,14,15)
InChIKeyKJYUCLHRHYTYFM-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.26
Rot. Bonds4

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

2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 104604969) has the molecular formula C9H14N8S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID104604969
Molecular FormulaC9H14N8S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2ncnn2C)nc(N(C)C)n1
InChIInChI=1S/C9H14N8S/c1-10-6-13-7(16(2)3)15-8(14-6)18-9-11-5-12-17(9)4/h5H,1-4H3,(H,10,13,14,15)
InChIKeyKJYUCLHRHYTYFM-UHFFFAOYSA-N
XLogP0.26
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604911
2-N,2-N,4-N-trimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80886555
2-N,2-N,4-N-trimethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887563
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102926985
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890214
4-hydrazinyl-N,N-dimethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80923499
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
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
2-ethyl-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605016
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551511
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (CID 104604969) is 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Sc2ncnn2C)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is KJYUCLHRHYTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8S/c1-10-6-13-7(16(2)3)15-8(14-6)18-9-11-5-12-17(9)4/h5H,1-4H3,(H,10,13,14,15).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 266.33 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104604969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).