6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine

C14H13ClN4O — CID 107489707

IUPAC6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
SMILESCOc1ccc(Cl)c(Nc2cc3[nH]ncc3cc2N)c1
InChIInChI=1S/C14H13ClN4O/c1-20-9-2-3-10(15)13(5-9)18-14-6-12-8(4-11(14)16)7-17-19-12/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyCMPUYWXAJRKGIZ-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.55
Rot. Bonds3

About 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine

6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine (PubChem CID 107489707) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
PubChem CID107489707
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
SMILESCOc1ccc(Cl)c(Nc2cc3[nH]ncc3cc2N)c1
InChIInChI=1S/C14H13ClN4O/c1-20-9-2-3-10(15)13(5-9)18-14-6-12-8(4-11(14)16)7-17-19-12/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyCMPUYWXAJRKGIZ-UHFFFAOYSA-N
XLogP3.55
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.55
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-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine (CID 107489707) is 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine is COc1ccc(Cl)c(Nc2cc3[nH]ncc3cc2N)c1.
What is the InChIKey of 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine?
The InChIKey is CMPUYWXAJRKGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-20-9-2-3-10(15)13(5-9)18-14-6-12-8(4-11(14)16)7-17-19-12/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine?
6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine has a molecular weight of 288.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107489707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).