2-ethyl-1,2,4-triazol-3-amine;hydrochloride

C4H9ClN4 — CID 53398856

IUPAC2-ethyl-1,2,4-triazol-3-amine;hydrochloride
SMILESCCn1ncnc1N.Cl
InChIInChI=1S/C4H8N4.ClH/c1-2-8-4(5)6-3-7-8;/h3H,2H2,1H3,(H2,5,6,7);1H
InChIKeyIFNIXWDZBBCGLH-UHFFFAOYSA-N
MW148.60 g/mol
LogP0.30
Rot. Bonds1

About 2-ethyl-1,2,4-triazol-3-amine;hydrochloride

2-ethyl-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 53398856) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 2-ethyl-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1,2,4-triazol-3-amine;hydrochloride
PubChem CID53398856
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name2-ethyl-1,2,4-triazol-3-amine;hydrochloride
SMILESCCn1ncnc1N.Cl
InChIInChI=1S/C4H8N4.ClH/c1-2-8-4(5)6-3-7-8;/h3H,2H2,1H3,(H2,5,6,7);1H
InChIKeyIFNIXWDZBBCGLH-UHFFFAOYSA-N
XLogP0.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2,4-triazol-3-amine;hydrochloride?
The IUPAC name of 2-ethyl-1,2,4-triazol-3-amine;hydrochloride (CID 53398856) is 2-ethyl-1,2,4-triazol-3-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-1,2,4-triazol-3-amine;hydrochloride?
The canonical SMILES for 2-ethyl-1,2,4-triazol-3-amine;hydrochloride is CCn1ncnc1N.Cl.
What is the InChIKey of 2-ethyl-1,2,4-triazol-3-amine;hydrochloride?
The InChIKey is IFNIXWDZBBCGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-2-8-4(5)6-3-7-8;/h3H,2H2,1H3,(H2,5,6,7);1H.
What are the key properties of 2-ethyl-1,2,4-triazol-3-amine;hydrochloride?
2-ethyl-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 53398856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).