4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine

C8H9N5S — CID 104604869

IUPAC4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
SMILESCn1ncnc1Sc1ccnc(N)c1
InChIInChI=1S/C8H9N5S/c1-13-8(11-5-12-13)14-6-2-3-10-7(9)4-6/h2-5H,1H3,(H2,9,10)
InChIKeyQHAVNLZTEVSTRZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.94
Rot. Bonds2

About 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine

4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine (PubChem CID 104604869) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
PubChem CID104604869
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
SMILESCn1ncnc1Sc1ccnc(N)c1
InChIInChI=1S/C8H9N5S/c1-13-8(11-5-12-13)14-6-2-3-10-7(9)4-6/h2-5H,1H3,(H2,9,10)
InChIKeyQHAVNLZTEVSTRZ-UHFFFAOYSA-N
XLogP0.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine (CID 104604869) is 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine is Cn1ncnc1Sc1ccnc(N)c1.
What is the InChIKey of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The InChIKey is QHAVNLZTEVSTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-13-8(11-5-12-13)14-6-2-3-10-7(9)4-6/h2-5H,1H3,(H2,9,10).
What are the key properties of 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine has a molecular weight of 207.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 104604869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).