1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone

C11H19N5O — CID 103884564

IUPAC1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ncn(C)n2)CC1
InChIInChI=1S/C11H19N5O/c1-9(17)16-5-3-10(4-6-16)12-7-11-13-8-15(2)14-11/h8,10,12H,3-7H2,1-2H3
InChIKeyLNHQZRVOSOTUNX-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.08
Rot. Bonds3

About 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone

1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 103884564) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID103884564
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2ncn(C)n2)CC1
InChIInChI=1S/C11H19N5O/c1-9(17)16-5-3-10(4-6-16)12-7-11-13-8-15(2)14-11/h8,10,12H,3-7H2,1-2H3
InChIKeyLNHQZRVOSOTUNX-UHFFFAOYSA-N
XLogP-0.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 113349407
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
CID 103907068
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
1-[4-[(3-cyclopropylimidazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 66161737
1-[4-(1,2-oxazol-5-ylmethylamino)piperidin-1-yl]ethanone
CID 103605566
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
1-[4-(quinoxalin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 43791022
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]ethanone
CID 60979868
CID 140622429
CID 140622429

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone (CID 103884564) is 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2ncn(C)n2)CC1.
What is the InChIKey of 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is LNHQZRVOSOTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(17)16-5-3-10(4-6-16)12-7-11-13-8-15(2)14-11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 237.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 103884564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).