4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one

C13H25N5O — CID 131947646

IUPAC4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one
SMILESCC(CN1CCCCC1)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C13H25N5O/c1-11(10-18-8-4-3-5-9-18)14-7-6-12-15-16-13(19)17(12)2/h11,14H,3-10H2,1-2H3,(H,16,19)
InChIKeyQYJZRAOEWPQGFO-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.11
Rot. Bonds6

About 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one

4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one (PubChem CID 131947646) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one
PubChem CID131947646
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one
SMILESCC(CN1CCCCC1)NCCc1n[nH]c(=O)n1C
InChIInChI=1S/C13H25N5O/c1-11(10-18-8-4-3-5-9-18)14-7-6-12-15-16-13(19)17(12)2/h11,14H,3-10H2,1-2H3,(H,16,19)
InChIKeyQYJZRAOEWPQGFO-UHFFFAOYSA-N
XLogP0.11
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[2-(4-phenylbutan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one
CID 131944306
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
1-(azepan-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 131902701
5-[[[(2S)-1-(azepan-1-yl)propan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125443062
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61472134
N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine
CID 113408576

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one (CID 131947646) is 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one is CC(CN1CCCCC1)NCCc1n[nH]c(=O)n1C.
What is the InChIKey of 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one?
The InChIKey is QYJZRAOEWPQGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11(10-18-8-4-3-5-9-18)14-7-6-12-15-16-13(19)17(12)2/h11,14H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one?
4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one has a molecular weight of 267.38 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(1-piperidin-1-ylpropan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 131947646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).