2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide

C13H17N5O — CID 107488994

IUPAC2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C13H17N5O/c1-18(7-13(19)16-9-2-3-9)12-5-11-8(4-10(12)14)6-15-17-11/h4-6,9H,2-3,7,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyRHKBUDTZSAFHDR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.86
Rot. Bonds4

About 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide

2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 107488994) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID107488994
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C13H17N5O/c1-18(7-13(19)16-9-2-3-9)12-5-11-8(4-10(12)14)6-15-17-11/h4-6,9H,2-3,7,14H2,1H3,(H,15,17)(H,16,19)
InChIKeyRHKBUDTZSAFHDR-UHFFFAOYSA-N
XLogP0.86
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 43577859
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114194996
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
CID 107490850
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide (CID 107488994) is 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1cc2[nH]ncc2cc1N.
What is the InChIKey of 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is RHKBUDTZSAFHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18(7-13(19)16-9-2-3-9)12-5-11-8(4-10(12)14)6-15-17-11/h4-6,9H,2-3,7,14H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide?
2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 259.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 107488994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).