2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine

C17H18N6 — CID 154780856

IUPAC2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine
SMILESCn1cnnc1C1CCCN1c1ccc(-c2ccncc2)cn1
InChIInChI=1S/C17H18N6/c1-22-12-20-21-17(22)15-3-2-10-23(15)16-5-4-14(11-19-16)13-6-8-18-9-7-13/h4-9,11-12,15H,2-3,10H2,1H3
InChIKeyRASISBPYCJFEPI-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.61
Rot. Bonds3

About 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine

2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine (PubChem CID 154780856) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine
PubChem CID154780856
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine
SMILESCn1cnnc1C1CCCN1c1ccc(-c2ccncc2)cn1
InChIInChI=1S/C17H18N6/c1-22-12-20-21-17(22)15-3-2-10-23(15)16-5-4-14(11-19-16)13-6-8-18-9-7-13/h4-9,11-12,15H,2-3,10H2,1H3
InChIKeyRASISBPYCJFEPI-UHFFFAOYSA-N
XLogP2.61
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine?
The IUPAC name of 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine (CID 154780856) is 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine.
What is the SMILES notation for 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine?
The canonical SMILES for 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine is Cn1cnnc1C1CCCN1c1ccc(-c2ccncc2)cn1.
What is the InChIKey of 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine?
The InChIKey is RASISBPYCJFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-22-12-20-21-17(22)15-3-2-10-23(15)16-5-4-14(11-19-16)13-6-8-18-9-7-13/h4-9,11-12,15H,2-3,10H2,1H3.
What are the key properties of 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine?
2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine has a molecular weight of 306.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-5-pyridin-4-ylpyridine is sourced from PubChem (CID 154780856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).