6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine

C15H14N4O — CID 107490352

IUPAC6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NC1COc2ccccc21
InChIInChI=1S/C15H14N4O/c16-11-5-9-7-17-19-12(9)6-13(11)18-14-8-20-15-4-2-1-3-10(14)15/h1-7,14,18H,8,16H2,(H,17,19)
InChIKeyPWIISYHYZCJTBC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds2

About 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine

6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine (PubChem CID 107490352) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine
PubChem CID107490352
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NC1COc2ccccc21
InChIInChI=1S/C15H14N4O/c16-11-5-9-7-17-19-12(9)6-13(11)18-14-8-20-15-4-2-1-3-10(14)15/h1-7,14,18H,8,16H2,(H,17,19)
InChIKeyPWIISYHYZCJTBC-UHFFFAOYSA-N
XLogP2.69
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2,3-dihydro-1H-inden-2-yl)-1H-indazole-5,6-diamine
CID 107844682
4-amino-3-(2,3-dihydro-1-benzofuran-3-ylamino)benzenesulfonamide
CID 82898599
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
2-[(5-amino-1H-indazol-6-yl)amino]cycloheptan-1-ol
CID 107490875
4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
CID 103963345
3-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)benzene-1,2-diamine
CID 104834591
5-N-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66279227
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807
(E)-3-(1H-indazol-6-yl)-N-[(3R,4S)-3-methyl-3,4-dihydro-2H-chromen-4-yl]prop-2-enamide
CID 170250374
5-chloro-1-N-(2,3-dihydro-1-benzofuran-3-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553163

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine (CID 107490352) is 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1NC1COc2ccccc21.
What is the InChIKey of 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine?
The InChIKey is PWIISYHYZCJTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-11-5-9-7-17-19-12(9)6-13(11)18-14-8-20-15-4-2-1-3-10(14)15/h1-7,14,18H,8,16H2,(H,17,19).
What are the key properties of 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine?
6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dihydro-1-benzofuran-3-yl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).