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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Related Compounds

6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107489707
4-fluoro-2-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 55067775
6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine
CID 107490761
6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
CID 107490964
6-N-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067641
6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236
6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
CID 107606267
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722

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).