[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine

C7H8N6S — CID 130551424

IUPAC[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine
SMILESNCc1cc(Sc2ncn[nH]2)ncn1
InChIInChI=1S/C7H8N6S/c8-2-5-1-6(10-3-9-5)14-7-11-4-12-13-7/h1,3-4H,2,8H2,(H,11,12,13)
InChIKeySWLDQKKOEXYHOP-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.20
Rot. Bonds3

About [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine

[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine (PubChem CID 130551424) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine
PubChem CID130551424
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine
SMILESNCc1cc(Sc2ncn[nH]2)ncn1
InChIInChI=1S/C7H8N6S/c8-2-5-1-6(10-3-9-5)14-7-11-4-12-13-7/h1,3-4H,2,8H2,(H,11,12,13)
InChIKeySWLDQKKOEXYHOP-UHFFFAOYSA-N
XLogP0.20
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine (CID 130551424) is [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine is NCc1cc(Sc2ncn[nH]2)ncn1.
What is the InChIKey of [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine?
The InChIKey is SWLDQKKOEXYHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c8-2-5-1-6(10-3-9-5)14-7-11-4-12-13-7/h1,3-4H,2,8H2,(H,11,12,13).
What are the key properties of [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine?
[6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine has a molecular weight of 208.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 130551424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).