1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one

C11H19N5O — CID 113431479

IUPAC1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one
SMILESCCn1nc(C)cc1CN1CCCN(N)C1=O
InChIInChI=1S/C11H19N5O/c1-3-16-10(7-9(2)13-16)8-14-5-4-6-15(12)11(14)17/h7H,3-6,8,12H2,1-2H3
InChIKeyBYQZMZSXMADDFE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.71
Rot. Bonds3

About 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one

1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one (PubChem CID 113431479) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one
PubChem CID113431479
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one
SMILESCCn1nc(C)cc1CN1CCCN(N)C1=O
InChIInChI=1S/C11H19N5O/c1-3-16-10(7-9(2)13-16)8-14-5-4-6-15(12)11(14)17/h7H,3-6,8,12H2,1-2H3
InChIKeyBYQZMZSXMADDFE-UHFFFAOYSA-N
XLogP0.71
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

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N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
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N,N-dimethyl-N'-({5-[3-(methylthio)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)urea
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N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72890234
1-cyclohexyl-3-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)urea
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N-[(5-isobutyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-4-methylpiperazine-1-carboxamide
CID 70739880
7-{[(1,3-Dimethyl-1H-pyrazol-5-YL)methyl](methyl)amino}-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-3-one
CID 91910910
7-[(2,5-dimethylpyrazol-3-yl)methyl]-5,6,8,9-tetrahydro-2H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
CID 91922534
7-[(1,3-Dimethyl-1H-pyrazol-5-YL)methyl]-2-methyl-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-D][1,4]diazepin-3-one
CID 110197895
4-[1-[2-(3,5-Dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-2,5-dimethyl-1,2,4-triazol-3-one
CID 124049332
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrolidine-1-carboxamide
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1-[(1,5-Dimethylpyrazol-3-yl)methyl]-3-(2-fluoroethyl)urea
CID 25119847

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one (CID 113431479) is 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one is CCn1nc(C)cc1CN1CCCN(N)C1=O.
What is the InChIKey of 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one?
The InChIKey is BYQZMZSXMADDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-16-10(7-9(2)13-16)8-14-5-4-6-15(12)11(14)17/h7H,3-6,8,12H2,1-2H3.
What are the key properties of 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one?
1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one has a molecular weight of 237.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,3-diazinan-2-one is sourced from PubChem (CID 113431479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).