4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one

C19H25N5O2 — CID 121116901

IUPAC4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)n2nc(-c3cccnc3)n(C3CC3)c2=O)CC1
InChIInChI=1S/C19H25N5O2/c1-13-7-10-22(11-8-13)18(25)14(2)24-19(26)23(16-5-6-16)17(21-24)15-4-3-9-20-12-15/h3-4,9,12-14,16H,5-8,10-11H2,1-2H3
InChIKeyUNHFJVCTUWEZMF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds4

About 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one

4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one (PubChem CID 121116901) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one
PubChem CID121116901
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one
SMILESCC1CCN(C(=O)C(C)n2nc(-c3cccnc3)n(C3CC3)c2=O)CC1
InChIInChI=1S/C19H25N5O2/c1-13-7-10-22(11-8-13)18(25)14(2)24-19(26)23(16-5-6-16)17(21-24)15-4-3-9-20-12-15/h3-4,9,12-14,16H,5-8,10-11H2,1-2H3
InChIKeyUNHFJVCTUWEZMF-UHFFFAOYSA-N
XLogP2.26
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopropyl-5-(furan-2-yl)-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,4-triazol-3-one
CID 121117135
2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 121116842
4-cyclopropyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116899
2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8916607
4-cyclopropyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116894
2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116795
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 121116419
N-benzyl-2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetamide
CID 121116890
[1-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 42961045
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-ethoxybenzamide
CID 121116428
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23738645
4-cyclopropyl-2-(oxolan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 121116803

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one (CID 121116901) is 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one is CC1CCN(C(=O)C(C)n2nc(-c3cccnc3)n(C3CC3)c2=O)CC1.
What is the InChIKey of 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one?
The InChIKey is UNHFJVCTUWEZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-7-10-22(11-8-13)18(25)14(2)24-19(26)23(16-5-6-16)17(21-24)15-4-3-9-20-12-15/h3-4,9,12-14,16H,5-8,10-11H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one?
4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one has a molecular weight of 355.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-5-pyridin-3-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 121116901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).