5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine

C18H14N6 — CID 59252470

IUPAC5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
SMILESCn1nc(-c2cnc(-c3ccccc3)nc2)nc1-c1cccnc1
InChIInChI=1S/C18H14N6/c1-24-18(14-8-5-9-19-10-14)22-17(23-24)15-11-20-16(21-12-15)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyLANHDSKJHKINFF-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.00
Rot. Bonds3

About 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine

5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine (PubChem CID 59252470) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
PubChem CID59252470
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
SMILESCn1nc(-c2cnc(-c3ccccc3)nc2)nc1-c1cccnc1
InChIInChI=1S/C18H14N6/c1-24-18(14-8-5-9-19-10-14)22-17(23-24)15-11-20-16(21-12-15)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyLANHDSKJHKINFF-UHFFFAOYSA-N
XLogP3.00
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
CID 56935430
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287525
2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine
CID 162043796
2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62947082
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
CID 134860589
2-(2,6-difluorophenyl)-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indole
CID 58200697
3-methyl-2-phenyl-5-pyridin-3-ylimidazol-4-amine
CID 55048938
9-phenyl-2-pyridin-3-ylpurine
CID 67147959

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine?
The IUPAC name of 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine (CID 59252470) is 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine.
What is the SMILES notation for 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine?
The canonical SMILES for 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine is Cn1nc(-c2cnc(-c3ccccc3)nc2)nc1-c1cccnc1.
What is the InChIKey of 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine?
The InChIKey is LANHDSKJHKINFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-24-18(14-8-5-9-19-10-14)22-17(23-24)15-11-20-16(21-12-15)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine?
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine has a molecular weight of 314.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine is sourced from PubChem (CID 59252470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).