ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine

C15H16N4 — CID 143481678

IUPACethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
SMILESCC.c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C13H10N4.C2H6/c1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-2/h1-9H,(H,15,16,17);1-2H3
InChIKeyQCWDCOIEQDRSNU-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.56
Rot. Bonds2

About ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine

ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 143481678) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Nameethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
PubChem CID143481678
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Nameethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
SMILESCC.c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C13H10N4.C2H6/c1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-2/h1-9H,(H,15,16,17);1-2H3
InChIKeyQCWDCOIEQDRSNU-UHFFFAOYSA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
CID 22564555
2-methyl-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487228
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918272
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
2-chloro-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 82569473
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]pyridine;2,2,2-trifluoroacetic acid
CID 56587866
2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
CID 145349648
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
2,2-dimethyl-3-[[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 56762102
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
3-[5-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-3-yl]aniline
CID 82569247

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine (CID 143481678) is ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine is CC.c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1.
What is the InChIKey of ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is QCWDCOIEQDRSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4.C2H6/c1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;1-2/h1-9H,(H,15,16,17);1-2H3.
What are the key properties of ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine?
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 143481678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).