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

C13H13N5S — CID 104603486

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
SMILESCn1ncnc1Sc1nc2ccccc2cc1CN
InChIInChI=1S/C13H13N5S/c1-18-13(15-8-16-18)19-12-10(7-14)6-9-4-2-3-5-11(9)17-12/h2-6,8H,7,14H2,1H3
InChIKeyRDPAOZSIGOBQFT-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.97
Rot. Bonds3

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

[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine (PubChem CID 104603486) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
PubChem CID104603486
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
SMILESCn1ncnc1Sc1nc2ccccc2cc1CN
InChIInChI=1S/C13H13N5S/c1-18-13(15-8-16-18)19-12-10(7-14)6-9-4-2-3-5-11(9)17-12/h2-6,8H,7,14H2,1H3
InChIKeyRDPAOZSIGOBQFT-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine (CID 104603486) is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine is Cn1ncnc1Sc1nc2ccccc2cc1CN.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine?
The InChIKey is RDPAOZSIGOBQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-18-13(15-8-16-18)19-12-10(7-14)6-9-4-2-3-5-11(9)17-12/h2-6,8H,7,14H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine?
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine is sourced from PubChem (CID 104603486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).