3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide

C14H21N5O — CID 77124994

IUPAC3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H21N5O/c1-3-19(9-8-14(15)17-20)10-12-11-6-4-5-7-13(11)18(2)16-12/h4-7,20H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyLXCPROPAERZDRZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.53
Rot. Bonds6

About 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide

3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide (PubChem CID 77124994) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide
PubChem CID77124994
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H21N5O/c1-3-19(9-8-14(15)17-20)10-12-11-6-4-5-7-13(11)18(2)16-12/h4-7,20H,3,8-10H2,1-2H3,(H2,15,17)
InChIKeyLXCPROPAERZDRZ-UHFFFAOYSA-N
XLogP1.53
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.53
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'-hydroxypropanimidamide?
The IUPAC name of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide (CID 77124994) is 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)Cc1nn(C)c2ccccc12.
What is the InChIKey of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is LXCPROPAERZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-19(9-8-14(15)17-20)10-12-11-6-4-5-7-13(11)18(2)16-12/h4-7,20H,3,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide?
3-[ethyl-[(1-methylindazol-3-yl)methyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 275.36 g/mol, XLogP of 1.53, 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'-hydroxypropanimidamide is sourced from PubChem (CID 77124994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).