N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

C11H16N6OS — CID 80892179

IUPACN-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2cnn(C)c2)n1
InChIInChI=1S/C11H16N6OS/c1-4-5-18-10-14-9(12-2)15-11(16-10)19-8-6-13-17(3)7-8/h6-7H,4-5H2,1-3H3,(H,12,14,15,16)
InChIKeyKQKYAPYVXDDWAQ-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.59
Rot. Bonds6

About N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80892179) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80892179
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC NameN-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2cnn(C)c2)n1
InChIInChI=1S/C11H16N6OS/c1-4-5-18-10-14-9(12-2)15-11(16-10)19-8-6-13-17(3)7-8/h6-7H,4-5H2,1-3H3,(H,12,14,15,16)
InChIKeyKQKYAPYVXDDWAQ-UHFFFAOYSA-N
XLogP1.59
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80892258
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80923841
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886259
4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116794366

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 80892179) is N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Sc2cnn(C)c2)n1.
What is the InChIKey of N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is KQKYAPYVXDDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-4-5-18-10-14-9(12-2)15-11(16-10)19-8-6-13-17(3)7-8/h6-7H,4-5H2,1-3H3,(H,12,14,15,16).
What are the key properties of N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 280.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80892179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).