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

C9H12N8S — CID 110190364

IUPAC2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1nncn1-c1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C9H12N8S/c1-18-9-16-11-4-17(9)8-14-6(10)13-7(15-8)12-5-2-3-5/h4-5H,2-3H2,1H3,(H3,10,12,13,14,15)
InChIKeySGKCIZFVJXBTMP-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.33
Rot. Bonds4

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

2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 110190364) has the molecular formula C9H12N8S and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID110190364
Molecular FormulaC9H12N8S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCSc1nncn1-c1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C9H12N8S/c1-18-9-16-11-4-17(9)8-14-6(10)13-7(15-8)12-5-2-3-5/h4-5H,2-3H2,1H3,(H3,10,12,13,14,15)
InChIKeySGKCIZFVJXBTMP-UHFFFAOYSA-N
XLogP0.33
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
2-N-(3,4-dimethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80827386
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
4-(4-chlorophenyl)-3-methylsulfanyl-1,2,4-triazole
CID 12615419
2-N-(3-ethylcyclohexyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80826910
4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140514462

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 110190364) is 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine is CSc1nncn1-c1nc(N)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SGKCIZFVJXBTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8S/c1-18-9-16-11-4-17(9)8-14-6(10)13-7(15-8)12-5-2-3-5/h4-5H,2-3H2,1H3,(H3,10,12,13,14,15).
What are the key properties of 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 264.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 110190364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).