[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

C14H15N5S — CID 79235646

IUPAC[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCc1ccnc2ccccc12
InChIInChI=1S/C14H15N5S/c1-19-13(8-15)17-18-14(19)20-9-10-6-7-16-12-5-3-2-4-11(10)12/h2-7H,8-9,15H2,1H3
InChIKeyFNFPLVHYWZHRNH-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.11
Rot. Bonds4

About [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 79235646) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID79235646
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
SMILESCn1c(CN)nnc1SCc1ccnc2ccccc12
InChIInChI=1S/C14H15N5S/c1-19-13(8-15)17-18-14(19)20-9-10-6-7-16-12-5-3-2-4-11(10)12/h2-7H,8-9,15H2,1H3
InChIKeyFNFPLVHYWZHRNH-UHFFFAOYSA-N
XLogP2.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine (CID 79235646) is [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is Cn1c(CN)nnc1SCc1ccnc2ccccc12.
What is the InChIKey of [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is FNFPLVHYWZHRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-19-13(8-15)17-18-14(19)20-9-10-6-7-16-12-5-3-2-4-11(10)12/h2-7H,8-9,15H2,1H3.
What are the key properties of [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine?
[4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 285.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(quinolin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 79235646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).