1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium

C6H11N4O+ — CID 163692781

IUPAC1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium
SMILESC/N=C1/C(C(C)=[NH2+])=NNC1O
InChIInChI=1S/C6H10N4O/c1-3(7)4-5(8-2)6(11)10-9-4/h6-7,10-11H,1-2H3/p+1/b7-3?,8-5-
InChIKeyXCPAEPDWMYJMJC-XNXQMDMASA-O
MW155.18 g/mol
LogP-2.45
Rot. Bonds1

About 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium

1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium (PubChem CID 163692781) has the molecular formula C6H11N4O+ and a molecular weight of 155.18 g/mol. Its IUPAC name is 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium.

Molecular Properties

Compound Name1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium
PubChem CID163692781
Molecular FormulaC6H11N4O+
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium
SMILESC/N=C1/C(C(C)=[NH2+])=NNC1O
InChIInChI=1S/C6H10N4O/c1-3(7)4-5(8-2)6(11)10-9-4/h6-7,10-11H,1-2H3/p+1/b7-3?,8-5-
InChIKeyXCPAEPDWMYJMJC-XNXQMDMASA-O
XLogP-2.45
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1,4,5,6-tetrahydropyridazin-6-ol
CID 68394048
3-propyl-4,5-dihydro-1H-pyrazol-5-ol
CID 135138749
3-Ethanimidoyl-4-methylimino-1,5-dihydropyrazol-5-ol
CID 163692782

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium?
The IUPAC name of 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium (CID 163692781) is 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium.
What is the SMILES notation for 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium?
The canonical SMILES for 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium is C/N=C1/C(C(C)=[NH2+])=NNC1O.
What is the InChIKey of 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium?
The InChIKey is XCPAEPDWMYJMJC-XNXQMDMASA-O. The full InChI is InChI=1S/C6H10N4O/c1-3(7)4-5(8-2)6(11)10-9-4/h6-7,10-11H,1-2H3/p+1/b7-3?,8-5-.
What are the key properties of 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium?
1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium has a molecular weight of 155.18 g/mol, XLogP of -2.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4-methylimino-1,5-dihydropyrazol-3-yl)ethylideneazanium is sourced from PubChem (CID 163692781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).