5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride

C12H16Cl2N4 — CID 2872006

IUPAC5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride
SMILESCN1CCc2c(nnn2-c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C12H14N4.2ClH/c1-15-8-7-12-11(9-15)13-14-16(12)10-5-3-2-4-6-10;;/h2-6H,7-9H2,1H3;2*1H
InChIKeyCLDPWDYOAHDPDJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.10
Rot. Bonds1

About 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride

5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride (PubChem CID 2872006) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride
PubChem CID2872006
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC Name5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride
SMILESCN1CCc2c(nnn2-c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C12H14N4.2ClH/c1-15-8-7-12-11(9-15)13-14-16(12)10-5-3-2-4-6-10;;/h2-6H,7-9H2,1H3;2*1H
InChIKeyCLDPWDYOAHDPDJ-UHFFFAOYSA-N
XLogP2.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride (CID 2872006) is 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride is CN1CCc2c(nnn2-c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride?
The InChIKey is CLDPWDYOAHDPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.2ClH/c1-15-8-7-12-11(9-15)13-14-16(12)10-5-3-2-4-6-10;;/h2-6H,7-9H2,1H3;2*1H.
What are the key properties of 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride?
5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 2872006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).