N-(3-aminobutyl)-1H-indazole-6-carboxamide

C12H16N4O — CID 63253437

IUPACN-(3-aminobutyl)-1H-indazole-6-carboxamide
SMILESCC(N)CCNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-8(13)4-5-14-12(17)9-2-3-10-7-15-16-11(10)6-9/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyYHUNIXVTZXFZKJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds4

About N-(3-aminobutyl)-1H-indazole-6-carboxamide

N-(3-aminobutyl)-1H-indazole-6-carboxamide (PubChem CID 63253437) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(3-aminobutyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1H-indazole-6-carboxamide
PubChem CID63253437
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(3-aminobutyl)-1H-indazole-6-carboxamide
SMILESCC(N)CCNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-8(13)4-5-14-12(17)9-2-3-10-7-15-16-11(10)6-9/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyYHUNIXVTZXFZKJ-UHFFFAOYSA-N
XLogP1.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425
N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-6-carboxamide
CID 103743848
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(2-hydroxy-2-phenylethyl)-1H-indazole-6-carboxamide
CID 43394671
N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
CID 66166001
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1H-indazole-6-carboxamide (CID 63253437) is N-(3-aminobutyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1H-indazole-6-carboxamide is CC(N)CCNC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(3-aminobutyl)-1H-indazole-6-carboxamide?
The InChIKey is YHUNIXVTZXFZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(13)4-5-14-12(17)9-2-3-10-7-15-16-11(10)6-9/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-aminobutyl)-1H-indazole-6-carboxamide?
N-(3-aminobutyl)-1H-indazole-6-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 63253437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).