3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide

C15H23N5O — CID 77124987

IUPAC3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(Cc1nn(C)c2ccccc12)CC(C)C(N)=NO
InChIInChI=1S/C15H23N5O/c1-4-20(9-11(2)15(16)18-21)10-13-12-7-5-6-8-14(12)19(3)17-13/h5-8,11,21H,4,9-10H2,1-3H3,(H2,16,18)
InChIKeyTWFQCRSKNOWLAD-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.78
Rot. Bonds6

About 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77124987) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77124987
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(Cc1nn(C)c2ccccc12)CC(C)C(N)=NO
InChIInChI=1S/C15H23N5O/c1-4-20(9-11(2)15(16)18-21)10-13-12-7-5-6-8-14(12)19(3)17-13/h5-8,11,21H,4,9-10H2,1-3H3,(H2,16,18)
InChIKeyTWFQCRSKNOWLAD-UHFFFAOYSA-N
XLogP1.78
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 77124987) is 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(Cc1nn(C)c2ccccc12)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is TWFQCRSKNOWLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-20(9-11(2)15(16)18-21)10-13-12-7-5-6-8-14(12)19(3)17-13/h5-8,11,21H,4,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 289.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77124987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).