2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

C11H16Cl2N4 — CID 75415918

IUPAC2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CCN)nnc1-c1ccccc1
InChIInChI=1S/C11H14N4.2ClH/c1-15-10(7-8-12)13-14-11(15)9-5-3-2-4-6-9;;/h2-6H,7-8,12H2,1H3;2*1H
InChIKeyMHFZKWBJLSCWHA-UHFFFAOYSA-N
MW275.18 g/mol
LogP1.83
Rot. Bonds3

About 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride

2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (PubChem CID 75415918) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
PubChem CID75415918
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC Name2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.Cn1c(CCN)nnc1-c1ccccc1
InChIInChI=1S/C11H14N4.2ClH/c1-15-10(7-8-12)13-14-11(15)9-5-3-2-4-6-9;;/h2-6H,7-8,12H2,1H3;2*1H
InChIKeyMHFZKWBJLSCWHA-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride (CID 75415918) is 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is Cl.Cl.Cn1c(CCN)nnc1-c1ccccc1.
What is the InChIKey of 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is MHFZKWBJLSCWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.2ClH/c1-15-10(7-8-12)13-14-11(15)9-5-3-2-4-6-9;;/h2-6H,7-8,12H2,1H3;2*1H.
What are the key properties of 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride?
2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 275.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 75415918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).