2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine

C14H17N5S — CID 83267070

IUPAC2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine
SMILESCc1cnc(Sc2nnc(C3CC3)n2C2CC2)cc1N
InChIInChI=1S/C14H17N5S/c1-8-7-16-12(6-11(8)15)20-14-18-17-13(9-2-3-9)19(14)10-4-5-10/h6-7,9-10H,2-5H2,1H3,(H2,15,16)
InChIKeyVVGFJJKLCMDLDZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine

2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine (PubChem CID 83267070) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine
PubChem CID83267070
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine
SMILESCc1cnc(Sc2nnc(C3CC3)n2C2CC2)cc1N
InChIInChI=1S/C14H17N5S/c1-8-7-16-12(6-11(8)15)20-14-18-17-13(9-2-3-9)19(14)10-4-5-10/h6-7,9-10H,2-5H2,1H3,(H2,15,16)
InChIKeyVVGFJJKLCMDLDZ-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine?
The IUPAC name of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine (CID 83267070) is 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine.
What is the SMILES notation for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine?
The canonical SMILES for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine is Cc1cnc(Sc2nnc(C3CC3)n2C2CC2)cc1N.
What is the InChIKey of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine?
The InChIKey is VVGFJJKLCMDLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-8-7-16-12(6-11(8)15)20-14-18-17-13(9-2-3-9)19(14)10-4-5-10/h6-7,9-10H,2-5H2,1H3,(H2,15,16).
What are the key properties of 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine?
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methylpyridin-4-amine is sourced from PubChem (CID 83267070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).