N-(1H-indazol-6-ylmethyl)but-3-en-2-amine

C12H15N3 — CID 115691269

IUPACN-(1H-indazol-6-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H15N3/c1-3-9(2)13-7-10-4-5-11-8-14-15-12(11)6-10/h3-6,8-9,13H,1,7H2,2H3,(H,14,15)
InChIKeyQOTKIMJQCBNDOX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.23
Rot. Bonds4

About N-(1H-indazol-6-ylmethyl)but-3-en-2-amine

N-(1H-indazol-6-ylmethyl)but-3-en-2-amine (PubChem CID 115691269) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)but-3-en-2-amine
PubChem CID115691269
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-(1H-indazol-6-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)NCc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H15N3/c1-3-9(2)13-7-10-4-5-11-8-14-15-12(11)6-10/h3-6,8-9,13H,1,7H2,2H3,(H,14,15)
InChIKeyQOTKIMJQCBNDOX-UHFFFAOYSA-N
XLogP2.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981
methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine
CID 176904216
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)but-3-en-2-amine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)but-3-en-2-amine (CID 115691269) is N-(1H-indazol-6-ylmethyl)but-3-en-2-amine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)but-3-en-2-amine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)but-3-en-2-amine is C=CC(C)NCc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)but-3-en-2-amine?
The InChIKey is QOTKIMJQCBNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-9(2)13-7-10-4-5-11-8-14-15-12(11)6-10/h3-6,8-9,13H,1,7H2,2H3,(H,14,15).
What are the key properties of N-(1H-indazol-6-ylmethyl)but-3-en-2-amine?
N-(1H-indazol-6-ylmethyl)but-3-en-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)but-3-en-2-amine is sourced from PubChem (CID 115691269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).