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

C8H15N5O — CID 136836512

IUPAC3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1C(N)CCCN1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H15N5O/c1-5-6(9)3-2-4-13(5)7-10-8(14)12-11-7/h5-6H,2-4,9H2,1H3,(H2,10,11,12,14)
InChIKeyPTAWQEPXKYEGGO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.59
Rot. Bonds1

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

3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136836512) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136836512
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one
SMILESCC1C(N)CCCN1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H15N5O/c1-5-6(9)3-2-4-13(5)7-10-8(14)12-11-7/h5-6H,2-4,9H2,1H3,(H2,10,11,12,14)
InChIKeyPTAWQEPXKYEGGO-UHFFFAOYSA-N
XLogP-0.59
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 ≤ 5-0.59
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 dihydrochloride
CID 136573907
5-(2,6-dimethylpiperidin-1-yl)-2-methyl-4H-1,2,4-triazol-3-one
CID 135419050
3-(4-Aminopiperidin-1-yl)-1H-1,2,4-triazol-5-ol
CID 136573908
4-(piperidin-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 107410535
4-(1-piperidin-2-ylethyl)-1H-1,2,4-triazol-5-one
CID 107410543
4-[(6-methylpiperidin-2-yl)methyl]-1H-1,2,4-triazol-5-one
CID 107410547
4-(2-methylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107410552
4-(2,6-dimethylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107410554
4-(6-methylpiperidin-3-yl)-1H-1,2,4-triazol-5-one
CID 107410557
4-(2-methylpiperidin-4-yl)-1H-1,2,4-triazol-5-one
CID 107410921
5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-4H-1,2,4-triazol-3-one
CID 135726761
5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methyl-4H-1,2,4-triazol-3-one
CID 135726762

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one (CID 136836512) is 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is CC1C(N)CCCN1c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is PTAWQEPXKYEGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5-6(9)3-2-4-13(5)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-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one?
3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 197.24 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpiperidin-1-yl)-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136836512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).