6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine

C16H19N5 — CID 107490761

IUPAC6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine
SMILESCc1ccc(Nc2cc3[nH]ncc3cc2N)cc1N(C)C
InChIInChI=1S/C16H19N5/c1-10-4-5-12(7-16(10)21(2)3)19-15-8-14-11(6-13(15)17)9-18-20-14/h4-9,19H,17H2,1-3H3,(H,18,20)
InChIKeyIHWLAVHHKUORLH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.26
Rot. Bonds3

About 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine

6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine (PubChem CID 107490761) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine
PubChem CID107490761
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine
SMILESCc1ccc(Nc2cc3[nH]ncc3cc2N)cc1N(C)C
InChIInChI=1S/C16H19N5/c1-10-4-5-12(7-16(10)21(2)3)19-15-8-14-11(6-13(15)17)9-18-20-14/h4-9,19H,17H2,1-3H3,(H,18,20)
InChIKeyIHWLAVHHKUORLH-UHFFFAOYSA-N
XLogP3.26
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.26
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-(5-bromo-2-methylphenyl)-1H-indazole-5,6-diamine
CID 107489116
6-N-(3-bromo-4-fluorophenyl)-1H-indazole-5,6-diamine
CID 107490964
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
CID 107488738
2-N-[3-(dimethylamino)-4-methylphenyl]-6-methylpyridine-2,3-diamine
CID 115376279
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
6-N-(2,5-dibromophenyl)-1H-indazole-5,6-diamine
CID 107489373
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038
1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376263
6-N-(2-chloro-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107489707
3-bromo-2-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpyridine-2,5-diamine
CID 104507078
6-N-(2-chloro-4-iodophenyl)-1H-indazole-5,6-diamine
CID 107606267

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine (CID 107490761) is 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine is Cc1ccc(Nc2cc3[nH]ncc3cc2N)cc1N(C)C.
What is the InChIKey of 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine?
The InChIKey is IHWLAVHHKUORLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-10-4-5-12(7-16(10)21(2)3)19-15-8-14-11(6-13(15)17)9-18-20-14/h4-9,19H,17H2,1-3H3,(H,18,20).
What are the key properties of 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine?
6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine has a molecular weight of 281.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)-4-methylphenyl]-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).