4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

C10H10N8S — CID 107784987

IUPAC4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H10N8S/c1-11-7-15-8(18-5-4-12-6-18)17-10(16-7)19-9-13-2-3-14-9/h2-6H,1H3,(H,13,14)(H,11,15,16,17)
InChIKeyIZGVAGNIAZNNOD-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.97
Rot. Bonds4

About 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (PubChem CID 107784987) has the molecular formula C10H10N8S and a molecular weight of 274.31 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
PubChem CID107784987
Molecular FormulaC10H10N8S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H10N8S/c1-11-7-15-8(18-5-4-12-6-18)17-10(16-7)19-9-13-2-3-14-9/h2-6H,1H3,(H,13,14)(H,11,15,16,17)
InChIKeyIZGVAGNIAZNNOD-UHFFFAOYSA-N
XLogP0.97
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 107784913
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80929083
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine (CID 107784987) is 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Sc2ncc[nH]2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is IZGVAGNIAZNNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8S/c1-11-7-15-8(18-5-4-12-6-18)17-10(16-7)19-9-13-2-3-14-9/h2-6H,1H3,(H,13,14)(H,11,15,16,17).
What are the key properties of 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 274.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107784987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).