6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine

C16H18N4O — CID 107488738

IUPAC6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
SMILESCC(C)Oc1ccc(Nc2cc3[nH]ncc3cc2N)cc1
InChIInChI=1S/C16H18N4O/c1-10(2)21-13-5-3-12(4-6-13)19-16-8-15-11(7-14(16)17)9-18-20-15/h3-10,19H,17H2,1-2H3,(H,18,20)
InChIKeyYVQDCPAWYFSVEH-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.68
Rot. Bonds4

About 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine

6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine (PubChem CID 107488738) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
PubChem CID107488738
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
SMILESCC(C)Oc1ccc(Nc2cc3[nH]ncc3cc2N)cc1
InChIInChI=1S/C16H18N4O/c1-10(2)21-13-5-3-12(4-6-13)19-16-8-15-11(7-14(16)17)9-18-20-15/h3-10,19H,17H2,1-2H3,(H,18,20)
InChIKeyYVQDCPAWYFSVEH-UHFFFAOYSA-N
XLogP3.68
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine (CID 107488738) is 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine is CC(C)Oc1ccc(Nc2cc3[nH]ncc3cc2N)cc1.
What is the InChIKey of 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine?
The InChIKey is YVQDCPAWYFSVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(2)21-13-5-3-12(4-6-13)19-16-8-15-11(7-14(16)17)9-18-20-15/h3-10,19H,17H2,1-2H3,(H,18,20).
What are the key properties of 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine?
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine has a molecular weight of 282.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107488738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).