5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine

C17H15N7S — CID 75441147

IUPAC5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
SMILESCn1cnnc1-c1cncc(NCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H15N7S/c1-24-11-21-23-16(24)12-6-13(8-18-7-12)20-9-14-10-25-17(22-14)15-4-2-3-5-19-15/h2-8,10-11,20H,9H2,1H3
InChIKeyYOXDPADGAMAWDV-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.01
Rot. Bonds5

About 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine

5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine (PubChem CID 75441147) has the molecular formula C17H15N7S and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
PubChem CID75441147
Molecular FormulaC17H15N7S
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC Name5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
SMILESCn1cnnc1-c1cncc(NCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H15N7S/c1-24-11-21-23-16(24)12-6-13(8-18-7-12)20-9-14-10-25-17(22-14)15-4-2-3-5-19-15/h2-8,10-11,20H,9H2,1H3
InChIKeyYOXDPADGAMAWDV-UHFFFAOYSA-N
XLogP3.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine (CID 75441147) is 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine is Cn1cnnc1-c1cncc(NCc2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is YOXDPADGAMAWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S/c1-24-11-21-23-16(24)12-6-13(8-18-7-12)20-9-14-10-25-17(22-14)15-4-2-3-5-19-15/h2-8,10-11,20H,9H2,1H3.
What are the key properties of 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine?
5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 349.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 75441147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).