5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine

C19H15N5 — CID 147598461

IUPAC5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
SMILESc1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1
InChIInChI=1S/C19H15N5/c1-2-4-17(5-3-1)19-13-24(23-22-19)12-15-6-8-16(9-7-15)18-10-20-14-21-11-18/h1-11,13-14H,12H2
InChIKeyFZQWDHPNNCNJFX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.45
Rot. Bonds4

About 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine

5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine (PubChem CID 147598461) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
PubChem CID147598461
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
SMILESc1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1
InChIInChI=1S/C19H15N5/c1-2-4-17(5-3-1)19-13-24(23-22-19)12-15-6-8-16(9-7-15)18-10-20-14-21-11-18/h1-11,13-14H,12H2
InChIKeyFZQWDHPNNCNJFX-UHFFFAOYSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
4-(bromomethyl)-1-[(4-phenylphenyl)methyl]triazole
CID 62399723
2-(difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
1-(2-phenylphenyl)-4-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]butan-1-one
CID 159230522
1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
1-benzyl-4-(3-ethynylphenyl)triazole
CID 132526695
2-(2,4-dichlorophenoxy)-5-[(4-phenyltriazol-1-yl)methyl]phenol
CID 71733292
2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
CID 86305276

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine?
The IUPAC name of 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine (CID 147598461) is 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine?
The canonical SMILES for 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine is c1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1.
What is the InChIKey of 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine?
The InChIKey is FZQWDHPNNCNJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-2-4-17(5-3-1)19-13-24(23-22-19)12-15-6-8-16(9-7-15)18-10-20-14-21-11-18/h1-11,13-14H,12H2.
What are the key properties of 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine?
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine has a molecular weight of 313.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine is sourced from PubChem (CID 147598461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).