6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine

C17H20N4 — CID 107489047

IUPAC6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
SMILESCCCN(Cc1ccccc1)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C17H20N4/c1-2-8-21(12-13-6-4-3-5-7-13)17-10-16-14(9-15(17)18)11-19-20-16/h3-7,9-11H,2,8,12,18H2,1H3,(H,19,20)
InChIKeyXHEREJJEYQDYAR-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds5

About 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine

6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine (PubChem CID 107489047) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
PubChem CID107489047
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine
SMILESCCCN(Cc1ccccc1)c1cc2[nH]ncc2cc1N
InChIInChI=1S/C17H20N4/c1-2-8-21(12-13-6-4-3-5-7-13)17-10-16-14(9-15(17)18)11-19-20-16/h3-7,9-11H,2,8,12,18H2,1H3,(H,19,20)
InChIKeyXHEREJJEYQDYAR-UHFFFAOYSA-N
XLogP3.56
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-(pyridin-3-ylmethyl)-1H-indazole-5,6-diamine
CID 107488961
N-benzyl-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133383867
3-amino-4-[benzyl(propyl)amino]benzonitrile
CID 43587707
2-[3-amino-4-[benzyl(propyl)amino]phenyl]acetic acid
CID 165460297
6-N-methyl-6-N-(2-methylsulfanylethyl)-1H-indazole-5,6-diamine
CID 107490850
2-[(5-amino-1H-indazol-6-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107491314
2-[(5-amino-1H-indazol-6-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107491312
1-N-benzyl-2-iodo-1-N-propylbenzene-1,4-diamine
CID 66095594
4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
CID 55011806
6-N-butan-2-yl-6-N-(2-methoxyethyl)-1H-indazole-5,6-diamine
CID 107489655
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-1H-indazole-5,6-diamine
CID 107489686

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine (CID 107489047) is 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine is CCCN(Cc1ccccc1)c1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine?
The InChIKey is XHEREJJEYQDYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-8-21(12-13-6-4-3-5-7-13)17-10-16-14(9-15(17)18)11-19-20-16/h3-7,9-11H,2,8,12,18H2,1H3,(H,19,20).
What are the key properties of 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine?
6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-6-N-propyl-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).