N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide

C19H25N7O3 — CID 167938964

IUPACN-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NCC1CCC(CNC(=O)c2c[nH]ncc2=O)CC1)c1n[nH]nc1C1CC1
InChIInChI=1S/C19H25N7O3/c27-15-10-23-22-9-14(15)18(28)20-7-11-1-3-12(4-2-11)8-21-19(29)17-16(13-5-6-13)24-26-25-17/h9-13H,1-8H2,(H,20,28)(H,21,29)(H,22,27)(H,24,25,26)
InChIKeyLQAYVFLPTNCODZ-UHFFFAOYSA-N
MW399.46 g/mol
LogP0.73
Rot. Bonds7

About N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide

N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide (PubChem CID 167938964) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide
PubChem CID167938964
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC NameN-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(NCC1CCC(CNC(=O)c2c[nH]ncc2=O)CC1)c1n[nH]nc1C1CC1
InChIInChI=1S/C19H25N7O3/c27-15-10-23-22-9-14(15)18(28)20-7-11-1-3-12(4-2-11)8-21-19(29)17-16(13-5-6-13)24-26-25-17/h9-13H,1-8H2,(H,20,28)(H,21,29)(H,22,27)(H,24,25,26)
InChIKeyLQAYVFLPTNCODZ-UHFFFAOYSA-N
XLogP0.73
TPSA145.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide with MolForge

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Related Compounds

N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106124618
N-[[(1S,3R)-3-aminocyclopentyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 166261832
5-cyclopropyl-3-(cyclopropylmethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65372957
N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]phenyl]methyl]-5-(difluoromethyl)-1,3-thiazole-2-carboxamide
CID 166390213
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 11278969
4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526280
N-[(3-chlorocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 106127007
5-cyclopropyl-N-[1,3-di(propan-2-yl)pyrazol-5-yl]-2H-triazole-4-carboxamide
CID 166309348
4-cyclopropyl-2-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidine-5-carboxamide
CID 166246892
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide (CID 167938964) is N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide is O=C(NCC1CCC(CNC(=O)c2c[nH]ncc2=O)CC1)c1n[nH]nc1C1CC1.
What is the InChIKey of N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is LQAYVFLPTNCODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c27-15-10-23-22-9-14(15)18(28)20-7-11-1-3-12(4-2-11)8-21-19(29)17-16(13-5-6-13)24-26-25-17/h9-13H,1-8H2,(H,20,28)(H,21,29)(H,22,27)(H,24,25,26).
What are the key properties of N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide?
N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 167938964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).