4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine

C14H12N4O2 — CID 1488697

IUPAC4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCOc1ccnc(Oc2ccccc2)c1-c1ncn[nH]1
InChIInChI=1S/C14H12N4O2/c1-19-11-7-8-15-14(12(11)13-16-9-17-18-13)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyDGVDXDSNDGXQNO-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.67
Rot. Bonds4

About 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine

4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 1488697) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID1488697
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCOc1ccnc(Oc2ccccc2)c1-c1ncn[nH]1
InChIInChI=1S/C14H12N4O2/c1-19-11-7-8-15-14(12(11)13-16-9-17-18-13)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyDGVDXDSNDGXQNO-UHFFFAOYSA-N
XLogP2.67
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[3-(3-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 11166006
2-isobutoxy-5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 12991050
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
3-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072888
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 86072920
3-phenylmethoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 137655381
N-[(E)-{4-methoxy-3-[(pyridin-2-yloxy)methyl]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
CID 5348612
5-[2-(3,5-dimethoxyphenoxy)-3-pyridinyl]-N-(3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 44405616
3-[[5-[2-(3,5-dimethoxyphenoxy)-3-pyridinyl]-1H-1,2,4-triazol-3-yl]amino]phenol
CID 44405622
N-[5-[2-(3,5-dimethoxyphenoxy)-3-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-3-amine
CID 44405708
5-[2-(3,5-dimethoxyphenoxy)-3-pyridinyl]-N-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 44405753
1-N-[5-[2-(3,5-dimethoxyphenoxy)-3-pyridinyl]-1H-1,2,4-triazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 44405754

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine (CID 1488697) is 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine is COc1ccnc(Oc2ccccc2)c1-c1ncn[nH]1.
What is the InChIKey of 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is DGVDXDSNDGXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-19-11-7-8-15-14(12(11)13-16-9-17-18-13)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 268.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenoxy-3-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 1488697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).