N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C18H27N7O2 — CID 127654977

IUPACN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)N2CCC(c3nncn3C)CC2)c1CC
InChIInChI=1S/C18H27N7O2/c1-4-13-14(17(26)23-21-15(13)5-2)10-19-18(27)25-8-6-12(7-9-25)16-22-20-11-24(16)3/h11-12H,4-10H2,1-3H3,(H,19,27)(H,23,26)
InChIKeyHHJVVXQROBVDMU-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.11
Rot. Bonds5

About N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 127654977) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID127654977
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)N2CCC(c3nncn3C)CC2)c1CC
InChIInChI=1S/C18H27N7O2/c1-4-13-14(17(26)23-21-15(13)5-2)10-19-18(27)25-8-6-12(7-9-25)16-22-20-11-24(16)3/h11-12H,4-10H2,1-3H3,(H,19,27)(H,23,26)
InChIKeyHHJVVXQROBVDMU-UHFFFAOYSA-N
XLogP1.11
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 154773668
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112835991
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 115584087
2-cyclohexyloxy-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]acetamide
CID 71917190
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95129687
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97074016

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 127654977) is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCc1n[nH]c(=O)c(CNC(=O)N2CCC(c3nncn3C)CC2)c1CC.
What is the InChIKey of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HHJVVXQROBVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-4-13-14(17(26)23-21-15(13)5-2)10-19-18(27)25-8-6-12(7-9-25)16-22-20-11-24(16)3/h11-12H,4-10H2,1-3H3,(H,19,27)(H,23,26).
What are the key properties of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127654977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).