2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine

C17H21N5 — CID 50970621

IUPAC2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCC(C)Cc1nc(CCn2cccc2)n(-c2ccccn2)n1
InChIInChI=1S/C17H21N5/c1-14(2)13-15-19-17(8-12-21-10-5-6-11-21)22(20-15)16-7-3-4-9-18-16/h3-7,9-11,14H,8,12-13H2,1-2H3
InChIKeyJDMBCKYKMPMMRD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine

2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 50970621) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID50970621
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCC(C)Cc1nc(CCn2cccc2)n(-c2ccccn2)n1
InChIInChI=1S/C17H21N5/c1-14(2)13-15-19-17(8-12-21-10-5-6-11-21)22(20-15)16-7-3-4-9-18-16/h3-7,9-11,14H,8,12-13H2,1-2H3
InChIKeyJDMBCKYKMPMMRD-UHFFFAOYSA-N
XLogP2.90
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]quinazolin-4-one
CID 50976957
8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775
2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 50976916
2-[5-(methylsulfonylmethyl)-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 50970750
2-[5-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-3-(2-phenylethyl)-1,2,4-triazol-1-yl]pyridine
CID 75591117
(4S)-4-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95120371
2-[3-(2-phenylethyl)-5-(pyridin-3-ylmethyl)-1,2,4-triazol-1-yl]pyridine
CID 50985323
2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
CID 21050242
2-[3-(2-phenylethyl)-5-[1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
CID 50953513
1-(2,3-dimethylphenyl)-3-(2-methylpropyl)-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
CID 50979895
2-[3-(5-methylfuran-2-yl)-5-(1-pyrazol-1-ylpropan-2-yl)-1,2,4-triazol-1-yl]pyridine
CID 72868208
2-[5-(2-methylpropyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
CID 154912331

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine (CID 50970621) is 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine is CC(C)Cc1nc(CCn2cccc2)n(-c2ccccn2)n1.
What is the InChIKey of 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is JDMBCKYKMPMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-14(2)13-15-19-17(8-12-21-10-5-6-11-21)22(20-15)16-7-3-4-9-18-16/h3-7,9-11,14H,8,12-13H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 295.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-5-(2-pyrrol-1-ylethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50970621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).