CID 134789952

C11H16N4O3S — CID 134789952

IUPAC—
SMILESC=CCNC(=O)c1cnn2c1CN([S+](C)(=O)[O-])CC2
InChIInChI=1S/C11H16N4O3S/c1-3-4-12-11(16)9-7-13-15-6-5-14(8-10(9)15)19(2,17)18/h3,7H,1,4-6,8H2,2H3,(H-,12,16,17,18)
InChIKeyPUVXKUNGYDSMJP-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.21
Rot. Bonds4

About CID 134789952

CID 134789952 (PubChem CID 134789952) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol.

Molecular Properties

Compound NameCID 134789952
PubChem CID134789952
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name—
SMILESC=CCNC(=O)c1cnn2c1CN([S+](C)(=O)[O-])CC2
InChIInChI=1S/C11H16N4O3S/c1-3-4-12-11(16)9-7-13-15-6-5-14(8-10(9)15)19(2,17)18/h3,7H,1,4-6,8H2,2H3,(H-,12,16,17,18)
InChIKeyPUVXKUNGYDSMJP-UHFFFAOYSA-N
XLogP-0.21
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze CID 134789952 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

Sdccgsbi-0663000.P001
CID 134788980
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91911097
methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788380
5-acetyl-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134789190
5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134790046
methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134790634
CID 134790872
CID 134790872
1,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808902
(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 137452648
(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 137452761
(6S)-6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 146590818
6-methyl-N-(1,1,1-trifluoropropan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 146590819

Frequently Asked Questions

What is the IUPAC name of CID 134789952?
The IUPAC name of CID 134789952 (CID 134789952) is not available.
What is the SMILES notation for CID 134789952?
The canonical SMILES for CID 134789952 is C=CCNC(=O)c1cnn2c1CN([S+](C)(=O)[O-])CC2.
What is the InChIKey of CID 134789952?
The InChIKey is PUVXKUNGYDSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-3-4-12-11(16)9-7-13-15-6-5-14(8-10(9)15)19(2,17)18/h3,7H,1,4-6,8H2,2H3,(H-,12,16,17,18).
What are the key properties of CID 134789952?
CID 134789952 has a molecular weight of 284.34 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134789952 is sourced from PubChem (CID 134789952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).