ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine

C17H21N5O — CID 144726608

IUPACethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCC.COc1ncc(Cn2cncn2)cc1-c1ccnc(C)c1
InChIInChI=1S/C15H15N5O.C2H6/c1-11-5-13(3-4-17-11)14-6-12(7-18-15(14)21-2)8-20-10-16-9-19-20;1-2/h3-7,9-10H,8H2,1-2H3;1-2H3
InChIKeyOHVKDTLAEVZUFJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.13
Rot. Bonds4

About ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine

ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine (PubChem CID 144726608) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Nameethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
PubChem CID144726608
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Nameethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine
SMILESCC.COc1ncc(Cn2cncn2)cc1-c1ccnc(C)c1
InChIInChI=1S/C15H15N5O.C2H6/c1-11-5-13(3-4-17-11)14-6-12(7-18-15(14)21-2)8-20-10-16-9-19-20;1-2/h3-7,9-10H,8H2,1-2H3;1-2H3
InChIKeyOHVKDTLAEVZUFJ-UHFFFAOYSA-N
XLogP3.13
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The IUPAC name of ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine (CID 144726608) is ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine.
What is the SMILES notation for ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The canonical SMILES for ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine is CC.COc1ncc(Cn2cncn2)cc1-c1ccnc(C)c1.
What is the InChIKey of ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
The InChIKey is OHVKDTLAEVZUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O.C2H6/c1-11-5-13(3-4-17-11)14-6-12(7-18-15(14)21-2)8-20-10-16-9-19-20;1-2/h3-7,9-10H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine?
ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine has a molecular weight of 311.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-3-(2-methyl-4-pyridinyl)-5-(1,2,4-triazol-1-ylmethyl)pyridine is sourced from PubChem (CID 144726608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).