3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one

C8H15N5O — CID 136836526

IUPAC3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CCN(c2n[nH]c(=O)[nH]2)CC1N
InChIInChI=1S/C8H15N5O/c1-5-2-3-13(4-6(5)9)7-10-8(14)12-11-7/h5-6H,2-4,9H2,1H3,(H2,10,11,12,14)
InChIKeyUVENEBUHPLOFFW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.73
Rot. Bonds1

About 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one

3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136836526) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136836526
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1CCN(c2n[nH]c(=O)[nH]2)CC1N
InChIInChI=1S/C8H15N5O/c1-5-2-3-13(4-6(5)9)7-10-8(14)12-11-7/h5-6H,2-4,9H2,1H3,(H2,10,11,12,14)
InChIKeyUVENEBUHPLOFFW-UHFFFAOYSA-N
XLogP-0.73
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol
CID 136573908
4-(1-piperidin-4-ylethyl)-1H-1,2,4-triazol-5-one
CID 107410542
4-[(3-methylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one
CID 107410550
4-(4-methylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107410551
4-[(3-ethylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one
CID 107410558
4-(5-methylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107585679
4-(2,4-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 130527100
3-(2,3,4,4a,5,6,7,7a-Octahydropyrrolo[3,4-b]pyridin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136758252
3-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136758260
5-(3-aminopiperidin-1-yl)-4H-1,2,4-triazol-3-ol
CID 136758285
3-(3,5-Dimethylpiperazin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136836448
3-[(3r)-3-Methylpiperazin-1-yl]-1h-1,2,4-triazol-5-ol
CID 136836463

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136836526) is 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is CC1CCN(c2n[nH]c(=O)[nH]2)CC1N.
What is the InChIKey of 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is UVENEBUHPLOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5-2-3-13(4-6(5)9)7-10-8(14)12-11-7/h5-6H,2-4,9H2,1H3,(H2,10,11,12,14).
What are the key properties of 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of -0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136836526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).