5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)

C3H4N3ORb — CID 144521912

IUPAC5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)
SMILESCc1n[n-]c(=O)[nH]1.[Rb+]
InChIInChI=1S/C3H5N3O.Rb/c1-2-4-3(7)6-5-2;/h1H3,(H2,4,5,6,7);/q;+1/p-1
InChIKeyHNVVVLOSJJTQEP-UHFFFAOYSA-M
MW183.55 g/mol
LogP-3.96
Rot. Bonds

About 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)

5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+) (PubChem CID 144521912) has the molecular formula C3H4N3ORb and a molecular weight of 183.55 g/mol. Its IUPAC name is 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+).

Molecular Properties

Compound Name5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)
PubChem CID144521912
Molecular FormulaC3H4N3ORb
Molecular Weight183.55 g/mol
Exact Mass182.95
IUPAC Name5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)
SMILESCc1n[n-]c(=O)[nH]1.[Rb+]
InChIInChI=1S/C3H5N3O.Rb/c1-2-4-3(7)6-5-2;/h1H3,(H2,4,5,6,7);/q;+1/p-1
InChIKeyHNVVVLOSJJTQEP-UHFFFAOYSA-M
XLogP-3.96
TPSA59.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.55
LogP ≤ 5-3.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+) 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

5-methyl-1H-1,2,4-triazol-3-ol
CID 135429738
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,5-dimethyl-
CID 135541258
Ethane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one
CID 141778858
3-Methyl-1,4-dihydro-1,2,4-triazol-5-one;molecular hydrogen
CID 141831916
Ethane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one
CID 141831928
2-amino-5-methyl-4H-1,2,4-triazol-3-one
CID 142182325
3-Methyl-1,4-dihydro-1,2,4-triazol-1-ium-5-one
CID 149238695
3-Methyl-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride
CID 158714171
Ethane;5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;ruthenium(1+)
CID 166553567
Ethane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;molecular hydrogen
CID 166553587

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)?
The IUPAC name of 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+) (CID 144521912) is 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+).
What is the SMILES notation for 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)?
The canonical SMILES for 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+) is Cc1n[n-]c(=O)[nH]1.[Rb+].
What is the InChIKey of 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)?
The InChIKey is HNVVVLOSJJTQEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5N3O.Rb/c1-2-4-3(7)6-5-2;/h1H3,(H2,4,5,6,7);/q;+1/p-1.
What are the key properties of 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+)?
5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+) has a molecular weight of 183.55 g/mol, XLogP of -3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diaza-2-azanidacyclopent-5-en-3-one;rubidium(1+) is sourced from PubChem (CID 144521912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).