N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide

C16H29N7O — CID 91776521

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)N3CCN(C)CC3)C2)n1C
InChIInChI=1S/C16H29N7O/c1-20(2)11-14-18-19-15(22(14)4)12-9-13(10-12)17-16(24)23-7-5-21(3)6-8-23/h12-13H,5-11H2,1-4H3,(H,17,24)
InChIKeyWOBVBQHMEZIULC-UHFFFAOYSA-N
MW335.46 g/mol
LogP0.08
Rot. Bonds4

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide (PubChem CID 91776521) has the molecular formula C16H29N7O and a molecular weight of 335.46 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
PubChem CID91776521
Molecular FormulaC16H29N7O
Molecular Weight335.46 g/mol
Exact Mass335.24
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)N3CCN(C)CC3)C2)n1C
InChIInChI=1S/C16H29N7O/c1-20(2)11-14-18-19-15(22(14)4)12-9-13(10-12)17-16(24)23-7-5-21(3)6-8-23/h12-13H,5-11H2,1-4H3,(H,17,24)
InChIKeyWOBVBQHMEZIULC-UHFFFAOYSA-N
XLogP0.08
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide 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

(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
CID 91786393
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91768343
2-(5-acetylthiophen-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91798143
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide;hydrochloride
CID 154903589
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxybenzamide
CID 91791437
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70788572
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxan-4-amine
CID 91784875
4-cyano-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide;hydrochloride
CID 154902665
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 154902247
2-(1,2-benzoxazol-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91797497
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 70736537
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 91765404

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide (CID 91776521) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)N3CCN(C)CC3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is WOBVBQHMEZIULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O/c1-20(2)11-14-18-19-15(22(14)4)12-9-13(10-12)17-16(24)23-7-5-21(3)6-8-23/h12-13H,5-11H2,1-4H3,(H,17,24).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 335.46 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 91776521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).