2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride

C11H15ClN4O — CID 115606981

IUPAC2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
SMILESCC(NCc1ccc2cn[nH]c2c1)C(N)=O.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-7(11(12)16)13-5-8-2-3-9-6-14-15-10(9)4-8;/h2-4,6-7,13H,5H2,1H3,(H2,12,16)(H,14,15);1H
InChIKeySXYVIKMMOJADSX-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.95
Rot. Bonds4

About 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride

2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride (PubChem CID 115606981) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
PubChem CID115606981
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
SMILESCC(NCc1ccc2cn[nH]c2c1)C(N)=O.Cl
InChIInChI=1S/C11H14N4O.ClH/c1-7(11(12)16)13-5-8-2-3-9-6-14-15-10(9)4-8;/h2-4,6-7,13H,5H2,1H3,(H2,12,16)(H,14,15);1H
InChIKeySXYVIKMMOJADSX-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3S)-3-hydroxy-2-(1H-indazol-6-ylmethylamino)butanoate
CID 99793353
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
N-(1H-indazol-6-ylmethyl)but-3-en-2-amine
CID 115691269
(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)-2,2-dimethylpropanamide
CID 110470760
(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
CID 96765286
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride?
The IUPAC name of 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride (CID 115606981) is 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride.
What is the SMILES notation for 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride?
The canonical SMILES for 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride is CC(NCc1ccc2cn[nH]c2c1)C(N)=O.Cl.
What is the InChIKey of 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride?
The InChIKey is SXYVIKMMOJADSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.ClH/c1-7(11(12)16)13-5-8-2-3-9-6-14-15-10(9)4-8;/h2-4,6-7,13H,5H2,1H3,(H2,12,16)(H,14,15);1H.
What are the key properties of 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride?
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride is sourced from PubChem (CID 115606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).