N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide

C12H16N4O — CID 63194069

IUPACN-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
SMILESCC(C)(CN)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-12(2,7-13)15-11(17)8-3-4-9-6-14-16-10(9)5-8/h3-6H,7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKOMRVXGIMQVHQJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide

N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide (PubChem CID 63194069) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
PubChem CID63194069
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
SMILESCC(C)(CN)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-12(2,7-13)15-11(17)8-3-4-9-6-14-16-10(9)5-8/h3-6H,7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyKOMRVXGIMQVHQJ-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide
CID 62518655
N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106166733
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
N-(2-amino-2-oxoethoxy)-1H-indazole-6-carboxamide
CID 112674427
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide (CID 63194069) is N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide is CC(C)(CN)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide?
The InChIKey is KOMRVXGIMQVHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,7-13)15-11(17)8-3-4-9-6-14-16-10(9)5-8/h3-6H,7,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 63194069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).