1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

C4H9ClN4 — CID 71757788

IUPAC1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncn[nH]1.Cl
InChIInChI=1S/C4H8N4.ClH/c1-3(5)4-6-2-7-8-4;/h2-3H,5H2,1H3,(H,6,7,8);1H
InChIKeyYLKSYIPVPZDDQY-UHFFFAOYSA-N
MW148.60 g/mol
LogP0.25
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride

1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (PubChem CID 71757788) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
PubChem CID71757788
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncn[nH]1.Cl
InChIInChI=1S/C4H8N4.ClH/c1-3(5)4-6-2-7-8-4;/h2-3H,5H2,1H3,(H,6,7,8);1H
InChIKeyYLKSYIPVPZDDQY-UHFFFAOYSA-N
XLogP0.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride (CID 71757788) is 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is CC(N)c1ncn[nH]1.Cl.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
The InChIKey is YLKSYIPVPZDDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-3(5)4-6-2-7-8-4;/h2-3H,5H2,1H3,(H,6,7,8);1H.
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride?
1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71757788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).