3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride

C8H14ClN5O — CID 137091118

IUPAC3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride
SMILESCl.NC1CCN(c2nncc(=O)[nH]2)CC1
InChIInChI=1S/C8H13N5O.ClH/c9-6-1-3-13(4-2-6)8-11-7(14)5-10-12-8;/h5-6H,1-4,9H2,(H,11,12,14);1H
InChIKeyDRTBWVSJIHJVFB-UHFFFAOYSA-N
MW231.69 g/mol
LogP-0.49
Rot. Bonds1

About 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride

3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride (PubChem CID 137091118) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride
PubChem CID137091118
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride
SMILESCl.NC1CCN(c2nncc(=O)[nH]2)CC1
InChIInChI=1S/C8H13N5O.ClH/c9-6-1-3-13(4-2-6)8-11-7(14)5-10-12-8;/h5-6H,1-4,9H2,(H,11,12,14);1H
InChIKeyDRTBWVSJIHJVFB-UHFFFAOYSA-N
XLogP-0.49
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride?
The IUPAC name of 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride (CID 137091118) is 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride is Cl.NC1CCN(c2nncc(=O)[nH]2)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride?
The InChIKey is DRTBWVSJIHJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O.ClH/c9-6-1-3-13(4-2-6)8-11-7(14)5-10-12-8;/h5-6H,1-4,9H2,(H,11,12,14);1H.
What are the key properties of 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride?
3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride has a molecular weight of 231.69 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)-4H-1,2,4-triazin-5-one;hydrochloride is sourced from PubChem (CID 137091118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).