3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol

C17H17N5O — CID 44631785

IUPAC3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C17H17N5O/c23-12-6-11-19-17-15(13-7-2-1-3-8-13)21-22-16(20-17)14-9-4-5-10-18-14/h1-5,7-10,23H,6,11-12H2,(H,19,20,22)
InChIKeyZWQHKUKLAHMVNA-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.39
Rot. Bonds6

About 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol

3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol (PubChem CID 44631785) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol
PubChem CID44631785
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C17H17N5O/c23-12-6-11-19-17-15(13-7-2-1-3-8-13)21-22-16(20-17)14-9-4-5-10-18-14/h1-5,7-10,23H,6,11-12H2,(H,19,20,22)
InChIKeyZWQHKUKLAHMVNA-UHFFFAOYSA-N
XLogP2.39
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol (CID 44631785) is 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol is OCCCNc1nc(-c2ccccn2)nnc1-c1ccccc1.
What is the InChIKey of 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol?
The InChIKey is ZWQHKUKLAHMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-12-6-11-19-17-15(13-7-2-1-3-8-13)21-22-16(20-17)14-9-4-5-10-18-14/h1-5,7-10,23H,6,11-12H2,(H,19,20,22).
What are the key properties of 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol?
3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol has a molecular weight of 307.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol is sourced from PubChem (CID 44631785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).