4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

C7H8N6S — CID 80891874

IUPAC4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nc(Sc2ccnc(N)n2)n[nH]1
InChIInChI=1S/C7H8N6S/c1-4-10-7(13-12-4)14-5-2-3-9-6(8)11-5/h2-3H,1H3,(H2,8,9,11)(H,10,12,13)
InChIKeyPFICLQWWPZXETI-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.64
Rot. Bonds2

About 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80891874) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80891874
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCc1nc(Sc2ccnc(N)n2)n[nH]1
InChIInChI=1S/C7H8N6S/c1-4-10-7(13-12-4)14-5-2-3-9-6(8)11-5/h2-3H,1H3,(H2,8,9,11)(H,10,12,13)
InChIKeyPFICLQWWPZXETI-UHFFFAOYSA-N
XLogP0.64
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21279766
1-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propylsulfanyl]pyrimidin-4-yl]-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 21279817
2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(pyrimidin-2-yl)acetamide
CID 691439
N-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]ethyl}-2-(trifluoromethyl)pyrimidin-4-amine
CID 72878520
2-chloro-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79075485
5-fluoro-N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80884251
N-ethyl-5-fluoro-4-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80884670
5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80885514
5-fluoro-N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80886066
N-ethyl-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80886067
5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80886436
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80888934

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (CID 80891874) is 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is Cc1nc(Sc2ccnc(N)n2)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is PFICLQWWPZXETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-4-10-7(13-12-4)14-5-2-3-9-6(8)11-5/h2-3H,1H3,(H2,8,9,11)(H,10,12,13).
What are the key properties of 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 208.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80891874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).