2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine

C17H18N4 — CID 177085297

IUPAC2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
SMILESCC(C)c1ccc(-c2cn(Cc3ccccn3)nn2)cc1
InChIInChI=1S/C17H18N4/c1-13(2)14-6-8-15(9-7-14)17-12-21(20-19-17)11-16-5-3-4-10-18-16/h3-10,12-13H,11H2,1-2H3
InChIKeyBGMBLYINKDAEAH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.51
Rot. Bonds4

About 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine

2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine (PubChem CID 177085297) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
PubChem CID177085297
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
SMILESCC(C)c1ccc(-c2cn(Cc3ccccn3)nn2)cc1
InChIInChI=1S/C17H18N4/c1-13(2)14-6-8-15(9-7-14)17-12-21(20-19-17)11-16-5-3-4-10-18-16/h3-10,12-13H,11H2,1-2H3
InChIKeyBGMBLYINKDAEAH-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine
CID 68514359
(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
CID 137411369
5-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]pyridin-2-amine
CID 141371516
2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
CID 175938515
2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine
CID 175938528
N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
(2S)-2-[[1-(pyridin-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119943054
3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
4-(3-ethoxyphenyl)-1-[(4-propan-2-ylphenyl)methyl]triazole
CID 166349386
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline
CID 167762335

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine (CID 177085297) is 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine is CC(C)c1ccc(-c2cn(Cc3ccccn3)nn2)cc1.
What is the InChIKey of 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine?
The InChIKey is BGMBLYINKDAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13(2)14-6-8-15(9-7-14)17-12-21(20-19-17)11-16-5-3-4-10-18-16/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine?
2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine has a molecular weight of 278.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 177085297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).