N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C9H9N7S2 — CID 18150068

IUPACN-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2cc(C)nc3ncnn23)s1
InChIInChI=1S/C9H9N7S2/c1-5-3-6(16-7(13-5)11-4-12-16)17-9-15-14-8(10-2)18-9/h3-4H,1-2H3,(H,10,14)
InChIKeyTXFBELDBKSZDJB-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.48
Rot. Bonds3

About N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18150068) has the molecular formula C9H9N7S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18150068
Molecular FormulaC9H9N7S2
Molecular Weight279.35 g/mol
Exact Mass279.04
IUPAC NameN-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2cc(C)nc3ncnn23)s1
InChIInChI=1S/C9H9N7S2/c1-5-3-6(16-7(13-5)11-4-12-16)17-9-15-14-8(10-2)18-9/h3-4H,1-2H3,(H,10,14)
InChIKeyTXFBELDBKSZDJB-UHFFFAOYSA-N
XLogP1.48
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 18150068) is N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(Sc2cc(C)nc3ncnn23)s1.
What is the InChIKey of N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is TXFBELDBKSZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7S2/c1-5-3-6(16-7(13-5)11-4-12-16)17-9-15-14-8(10-2)18-9/h3-4H,1-2H3,(H,10,14).
What are the key properties of N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 279.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18150068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).