2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

C16H23N5 — CID 95633051

IUPAC2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESCC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccccn1
InChIInChI=1S/C16H23N5/c1-13(2)10-21-12-18-19-16(21)15-7-5-9-20(15)11-14-6-3-4-8-17-14/h3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyHCBARORJHCBDEC-OAHLLOKOSA-N
MW285.39 g/mol
LogP2.67
Rot. Bonds5

About 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine

2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine (PubChem CID 95633051) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
PubChem CID95633051
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
SMILESCC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccccn1
InChIInChI=1S/C16H23N5/c1-13(2)10-21-12-18-19-16(21)15-7-5-9-20(15)11-14-6-3-4-8-17-14/h3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3/t15-/m1/s1
InChIKeyHCBARORJHCBDEC-OAHLLOKOSA-N
XLogP2.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine (CID 95633051) is 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine is CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccccn1.
What is the InChIKey of 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is HCBARORJHCBDEC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(2)10-21-12-18-19-16(21)15-7-5-9-20(15)11-14-6-3-4-8-17-14/h3-4,6,8,12-13,15H,5,7,9-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine?
2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 285.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95633051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).