2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride

C13H19Cl2N5 — CID 67028379

IUPAC2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
SMILESCc1cc(-c2n[nH]c(C3CCNCC3)n2)ccn1.Cl.Cl
InChIInChI=1S/C13H17N5.2ClH/c1-9-8-11(4-7-15-9)13-16-12(17-18-13)10-2-5-14-6-3-10;;/h4,7-8,10,14H,2-3,5-6H2,1H3,(H,16,17,18);2*1H
InChIKeyGANDIEWQWAEUPL-UHFFFAOYSA-N
MW316.24 g/mol
LogP2.49
Rot. Bonds2

About 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride

2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride (PubChem CID 67028379) has the molecular formula C13H19Cl2N5 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
PubChem CID67028379
Molecular FormulaC13H19Cl2N5
Molecular Weight316.24 g/mol
Exact Mass315.10
IUPAC Name2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
SMILESCc1cc(-c2n[nH]c(C3CCNCC3)n2)ccn1.Cl.Cl
InChIInChI=1S/C13H17N5.2ClH/c1-9-8-11(4-7-15-9)13-16-12(17-18-13)10-2-5-14-6-3-10;;/h4,7-8,10,14H,2-3,5-6H2,1H3,(H,16,17,18);2*1H
InChIKeyGANDIEWQWAEUPL-UHFFFAOYSA-N
XLogP2.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride?
The IUPAC name of 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride (CID 67028379) is 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride.
What is the SMILES notation for 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride?
The canonical SMILES for 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride is Cc1cc(-c2n[nH]c(C3CCNCC3)n2)ccn1.Cl.Cl.
What is the InChIKey of 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride?
The InChIKey is GANDIEWQWAEUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.2ClH/c1-9-8-11(4-7-15-9)13-16-12(17-18-13)10-2-5-14-6-3-10;;/h4,7-8,10,14H,2-3,5-6H2,1H3,(H,16,17,18);2*1H.
What are the key properties of 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride?
2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride has a molecular weight of 316.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride is sourced from PubChem (CID 67028379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).