1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride

C5H8ClN5 — CID 119031190

IUPAC1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncn(CCN)n1
InChIInChI=1S/C5H7N5.ClH/c6-1-2-10-4-8-5(3-7)9-10;/h4H,1-2,6H2;1H
InChIKeyPPXFKEMXUKZDTR-UHFFFAOYSA-N
MW173.61 g/mol
LogP-0.47
Rot. Bonds2

About 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride

1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride (PubChem CID 119031190) has the molecular formula C5H8ClN5 and a molecular weight of 173.61 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride
PubChem CID119031190
Molecular FormulaC5H8ClN5
Molecular Weight173.61 g/mol
Exact Mass173.05
IUPAC Name1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncn(CCN)n1
InChIInChI=1S/C5H7N5.ClH/c6-1-2-10-4-8-5(3-7)9-10;/h4H,1-2,6H2;1H
InChIKeyPPXFKEMXUKZDTR-UHFFFAOYSA-N
XLogP-0.47
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.61
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride (CID 119031190) is 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride is Cl.N#Cc1ncn(CCN)n1.
What is the InChIKey of 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride?
The InChIKey is PPXFKEMXUKZDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5.ClH/c6-1-2-10-4-8-5(3-7)9-10;/h4H,1-2,6H2;1H.
What are the key properties of 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride?
1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride has a molecular weight of 173.61 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1,2,4-triazole-3-carbonitrile;hydrochloride is sourced from PubChem (CID 119031190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).