4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine

C10H13N5S — CID 139361107

IUPAC4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine
SMILESC[C@H](Sc1nncn1C)c1ccnc(N)c1
InChIInChI=1S/C10H13N5S/c1-7(8-3-4-12-9(11)5-8)16-10-14-13-6-15(10)2/h3-7H,1-2H3,(H2,11,12)/t7-/m0/s1
InChIKeyKTYRQYPBFZLKKF-ZETCQYMHSA-N
MW235.32 g/mol
LogP1.65
Rot. Bonds3

About 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine

4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine (PubChem CID 139361107) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine
PubChem CID139361107
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine
SMILESC[C@H](Sc1nncn1C)c1ccnc(N)c1
InChIInChI=1S/C10H13N5S/c1-7(8-3-4-12-9(11)5-8)16-10-14-13-6-15(10)2/h3-7H,1-2H3,(H2,11,12)/t7-/m0/s1
InChIKeyKTYRQYPBFZLKKF-ZETCQYMHSA-N
XLogP1.65
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine?
The IUPAC name of 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine (CID 139361107) is 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine is C[C@H](Sc1nncn1C)c1ccnc(N)c1.
What is the InChIKey of 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine?
The InChIKey is KTYRQYPBFZLKKF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7(8-3-4-12-9(11)5-8)16-10-14-13-6-15(10)2/h3-7H,1-2H3,(H2,11,12)/t7-/m0/s1.
What are the key properties of 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine?
4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 139361107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).