N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine

C10H13N5S — CID 104604312

IUPACN-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(Sc2ncnn2C)nc1
InChIInChI=1S/C10H13N5S/c1-11-5-8-3-4-9(12-6-8)16-10-13-7-14-15(10)2/h3-4,6-7,11H,5H2,1-2H3
InChIKeyTUGJEGROKHNECV-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.08
Rot. Bonds4

About N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine

N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine (PubChem CID 104604312) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
PubChem CID104604312
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(Sc2ncnn2C)nc1
InChIInChI=1S/C10H13N5S/c1-11-5-8-3-4-9(12-6-8)16-10-13-7-14-15(10)2/h3-4,6-7,11H,5H2,1-2H3
InChIKeyTUGJEGROKHNECV-UHFFFAOYSA-N
XLogP1.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine (CID 104604312) is N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine is CNCc1ccc(Sc2ncnn2C)nc1.
What is the InChIKey of N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine?
The InChIKey is TUGJEGROKHNECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-11-5-8-3-4-9(12-6-8)16-10-13-7-14-15(10)2/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine?
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine has a molecular weight of 235.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 104604312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).