CID 59888579

C8H14N3O — CID 59888579

IUPAC—
SMILESCCC1=NN(C)C(=O)C1(C)C[NH]
InChIInChI=1S/C8H14N3O/c1-4-6-8(2,5-9)7(12)11(3)10-6/h9H,4-5H2,1-3H3
InChIKeyXGHRVOQJTZWHHJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.51
Rot. Bonds2

About CID 59888579

CID 59888579 (PubChem CID 59888579) has the molecular formula C8H14N3O and a molecular weight of 168.22 g/mol.

Molecular Properties

Compound NameCID 59888579
PubChem CID59888579
Molecular FormulaC8H14N3O
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name—
SMILESCCC1=NN(C)C(=O)C1(C)C[NH]
InChIInChI=1S/C8H14N3O/c1-4-6-8(2,5-9)7(12)11(3)10-6/h9H,4-5H2,1-3H3
InChIKeyXGHRVOQJTZWHHJ-UHFFFAOYSA-N
XLogP0.51
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 2735686
2,3a-Dimethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 18685042
3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
CID 18685152
4-(aminomethyl)-3-ethyl-4-methyl-1H-pyrazol-5-one
CID 20679550
2,3a-Dimethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 22557113
4-(Aminomethyl)-5-ethyl-2,4-dimethylpyrazol-3-one
CID 22898485
(3aR)-2,3a-dimethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 23377684
(3aR)-2,3a-dimethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 23377685
2,4,4-Trimethyl-5-propan-2-ylpyrazol-3-one
CID 23388603
(3aS)-2,3a-dimethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 53781759
1,3,5,5-tetramethyl-4H-pyridazin-6-one
CID 58694581
5-Tert-butyl-2,4,4-trimethylpyrazol-3-one
CID 59463979

Frequently Asked Questions

What is the IUPAC name of CID 59888579?
The IUPAC name of CID 59888579 (CID 59888579) is not available.
What is the SMILES notation for CID 59888579?
The canonical SMILES for CID 59888579 is CCC1=NN(C)C(=O)C1(C)C[NH].
What is the InChIKey of CID 59888579?
The InChIKey is XGHRVOQJTZWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N3O/c1-4-6-8(2,5-9)7(12)11(3)10-6/h9H,4-5H2,1-3H3.
What are the key properties of CID 59888579?
CID 59888579 has a molecular weight of 168.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59888579 is sourced from PubChem (CID 59888579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).