2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine

C15H14ClN5 — CID 65483739

IUPAC2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H14ClN5/c1-10-7-8-17-15(16)13(10)18-9-12-14(20-21-19-12)11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20,21)
InChIKeyOKJDXUMAIGPSEW-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine

2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine (PubChem CID 65483739) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine
PubChem CID65483739
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C15H14ClN5/c1-10-7-8-17-15(16)13(10)18-9-12-14(20-21-19-12)11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20,21)
InChIKeyOKJDXUMAIGPSEW-UHFFFAOYSA-N
XLogP3.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine (CID 65483739) is 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine is Cc1ccnc(Cl)c1NCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is OKJDXUMAIGPSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-10-7-8-17-15(16)13(10)18-9-12-14(20-21-19-12)11-5-3-2-4-6-11/h2-8,18H,9H2,1H3,(H,19,20,21).
What are the key properties of 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine?
2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 299.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 65483739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).