1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine

C17H16N6 — CID 59615359

IUPAC1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine
SMILESCc1cccc2cnc(Nc3cc(N)c4cnn(C)c4c3)nc12
InChIInChI=1S/C17H16N6/c1-10-4-3-5-11-8-19-17(22-16(10)11)21-12-6-14(18)13-9-20-23(2)15(13)7-12/h3-9H,18H2,1-2H3,(H,19,21,22)
InChIKeySYQPXDWFFQXKDJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.15
Rot. Bonds2

About 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine

1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine (PubChem CID 59615359) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine.

Molecular Properties

Compound Name1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine
PubChem CID59615359
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine
SMILESCc1cccc2cnc(Nc3cc(N)c4cnn(C)c4c3)nc12
InChIInChI=1S/C17H16N6/c1-10-4-3-5-11-8-19-17(22-16(10)11)21-12-6-14(18)13-9-20-23(2)15(13)7-12/h3-9H,18H2,1-2H3,(H,19,21,22)
InChIKeySYQPXDWFFQXKDJ-UHFFFAOYSA-N
XLogP3.15
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine?
The IUPAC name of 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine (CID 59615359) is 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine.
What is the SMILES notation for 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine?
The canonical SMILES for 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine is Cc1cccc2cnc(Nc3cc(N)c4cnn(C)c4c3)nc12.
What is the InChIKey of 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine?
The InChIKey is SYQPXDWFFQXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-10-4-3-5-11-8-19-17(22-16(10)11)21-12-6-14(18)13-9-20-23(2)15(13)7-12/h3-9H,18H2,1-2H3,(H,19,21,22).
What are the key properties of 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine?
1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-N-(8-methylquinazolin-2-yl)indazole-4,6-diamine is sourced from PubChem (CID 59615359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).