7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide

C16H21N7O — CID 171067636

IUPAC7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1cc(-n2cnnc2)cc2[nH]ncc12
InChIInChI=1S/C16H21N7O/c17-6-4-2-1-3-5-16(24)21-14-7-12(23-10-19-20-11-23)8-15-13(14)9-18-22-15/h7-11H,1-6,17H2,(H,18,22)(H,21,24)
InChIKeyRFXFEGFLQTYWIU-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.99
Rot. Bonds8

About 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide

7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide (PubChem CID 171067636) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide
PubChem CID171067636
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1cc(-n2cnnc2)cc2[nH]ncc12
InChIInChI=1S/C16H21N7O/c17-6-4-2-1-3-5-16(24)21-14-7-12(23-10-19-20-11-23)8-15-13(14)9-18-22-15/h7-11H,1-6,17H2,(H,18,22)(H,21,24)
InChIKeyRFXFEGFLQTYWIU-UHFFFAOYSA-N
XLogP1.99
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptane-1,7-diamine
CID 171067030
6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
CID 54866853
4-chloro-N-(1H-indazol-4-yl)butanamide
CID 63307555
N-(1H-indazol-4-yl)pentanamide
CID 110479421
3-amino-N-(5-methyl-1H-indazol-6-yl)propanamide;hydrochloride
CID 119317530
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
3-[(3-cyano-4-cyclobutyloxyphenyl)methylamino]-N-[3-[[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]amino]propyl]propanamide
CID 171067366
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
7-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)heptanamide
CID 43710336
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide?
The IUPAC name of 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide (CID 171067636) is 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide?
The canonical SMILES for 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide is NCCCCCCC(=O)Nc1cc(-n2cnnc2)cc2[nH]ncc12.
What is the InChIKey of 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide?
The InChIKey is RFXFEGFLQTYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c17-6-4-2-1-3-5-16(24)21-14-7-12(23-10-19-20-11-23)8-15-13(14)9-18-22-15/h7-11H,1-6,17H2,(H,18,22)(H,21,24).
What are the key properties of 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide?
7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide has a molecular weight of 327.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[6-(1,2,4-triazol-4-yl)-1H-indazol-4-yl]heptanamide is sourced from PubChem (CID 171067636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).