[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine

C13H19N5S — CID 79267356

IUPAC[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cccc(C)n1
InChIInChI=1S/C13H19N5S/c1-3-7-18-12(8-14)16-17-13(18)19-9-11-6-4-5-10(2)15-11/h4-6H,3,7-9,14H2,1-2H3
InChIKeyXXFRQHQKOIKKCC-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.14
Rot. Bonds6

About [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine

[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 79267356) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
PubChem CID79267356
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1SCc1cccc(C)n1
InChIInChI=1S/C13H19N5S/c1-3-7-18-12(8-14)16-17-13(18)19-9-11-6-4-5-10(2)15-11/h4-6H,3,7-9,14H2,1-2H3
InChIKeyXXFRQHQKOIKKCC-UHFFFAOYSA-N
XLogP2.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3-fluorophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314009
[5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313830
[5-(2-phenylsulfanylethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 79222517
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313706
[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 105371925
[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 115332032
[5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313782
[5-[(1-ethylpyrazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 55205251
[5-[(4-nitrophenyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314052
[5-(2-phenoxyethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63314105
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 63313826
2-[[5-(aminomethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 63314050

Frequently Asked Questions

What is the IUPAC name of [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine (CID 79267356) is [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1SCc1cccc(C)n1.
What is the InChIKey of [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is XXFRQHQKOIKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-3-7-18-12(8-14)16-17-13(18)19-9-11-6-4-5-10(2)15-11/h4-6H,3,7-9,14H2,1-2H3.
What are the key properties of [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine?
[5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 277.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-methyl-2-pyridinyl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 79267356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).