2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride

C5H11ClN4 — CID 71755778

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCl.Cn1ncnc1CCN
InChIInChI=1S/C5H10N4.ClH/c1-9-5(2-3-6)7-4-8-9;/h4H,2-3,6H2,1H3;1H
InChIKeyLFJBPDRFJRJFNZ-UHFFFAOYSA-N
MW162.62 g/mol
LogP-0.26
Rot. Bonds2

About 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride

2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride (PubChem CID 71755778) has the molecular formula C5H11ClN4 and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
PubChem CID71755778
Molecular FormulaC5H11ClN4
Molecular Weight162.62 g/mol
Exact Mass162.07
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCl.Cn1ncnc1CCN
InChIInChI=1S/C5H10N4.ClH/c1-9-5(2-3-6)7-4-8-9;/h4H,2-3,6H2,1H3;1H
InChIKeyLFJBPDRFJRJFNZ-UHFFFAOYSA-N
XLogP-0.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18314526
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CID 18330011
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CID 44119709
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CID 54595645
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CID 66509943
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CID 71757788
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CID 91654460

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride (CID 71755778) is 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride is Cl.Cn1ncnc1CCN.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The InChIKey is LFJBPDRFJRJFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.ClH/c1-9-5(2-3-6)7-4-8-9;/h4H,2-3,6H2,1H3;1H.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71755778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).