N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine

C12H17N5S — CID 113431753

IUPACN-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine
SMILESCCNC(C)c1ccnc(Sc2ncnn2C)c1
InChIInChI=1S/C12H17N5S/c1-4-13-9(2)10-5-6-14-11(7-10)18-12-15-8-16-17(12)3/h5-9,13H,4H2,1-3H3
InChIKeyWSUKQFBNRMJGLX-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.03
Rot. Bonds5

About N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine

N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine (PubChem CID 113431753) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine
PubChem CID113431753
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine
SMILESCCNC(C)c1ccnc(Sc2ncnn2C)c1
InChIInChI=1S/C12H17N5S/c1-4-13-9(2)10-5-6-14-11(7-10)18-12-15-8-16-17(12)3/h5-9,13H,4H2,1-3H3
InChIKeyWSUKQFBNRMJGLX-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine (CID 113431753) is N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine is CCNC(C)c1ccnc(Sc2ncnn2C)c1.
What is the InChIKey of N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine?
The InChIKey is WSUKQFBNRMJGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-13-9(2)10-5-6-14-11(7-10)18-12-15-8-16-17(12)3/h5-9,13H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine?
N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine is sourced from PubChem (CID 113431753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).