(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine

C14H15N5 — CID 62141117

IUPAC(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCc1nnc(-n2ncc3ccccc32)c(CN)c1C
InChIInChI=1S/C14H15N5/c1-9-10(2)17-18-14(12(9)7-15)19-13-6-4-3-5-11(13)8-16-19/h3-6,8H,7,15H2,1-2H3
InChIKeyQJBKOMPRKJEZNK-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.89
Rot. Bonds2

About (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine

(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine (PubChem CID 62141117) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine
PubChem CID62141117
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCc1nnc(-n2ncc3ccccc32)c(CN)c1C
InChIInChI=1S/C14H15N5/c1-9-10(2)17-18-14(12(9)7-15)19-13-6-4-3-5-11(13)8-16-19/h3-6,8H,7,15H2,1-2H3
InChIKeyQJBKOMPRKJEZNK-UHFFFAOYSA-N
XLogP1.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-indazol-1-yl-4-methylpyrimidin-5-yl)methanamine
CID 83189252
[3-(4,5-dimethylimidazol-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 55064685
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)indazole
CID 63730381
(2-indazol-1-ylquinolin-3-yl)methanamine
CID 62140579
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
4-indazol-1-yl-5-methylpyrimidin-2-amine
CID 80856893
6-indazol-1-yl-5-methyl-2-propylpyrimidin-4-amine
CID 80989265
(4-indazol-1-yl-2-methylphenyl)methanamine
CID 55038931
(5-indazol-1-yl-1,3-dimethylpyrazol-4-yl)methanol
CID 62142478
(5-bromo-2-indazol-1-yl-3-pyridinyl)methanamine
CID 55059121
1-(2-chloro-6-methylphenyl)indazole
CID 117063200
1-(2-indazol-1-yl-4,6-dimethyl-3-pyridinyl)-N-methylmethanamine
CID 62295165

Frequently Asked Questions

What is the IUPAC name of (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine?
The IUPAC name of (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine (CID 62141117) is (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine is Cc1nnc(-n2ncc3ccccc32)c(CN)c1C.
What is the InChIKey of (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine?
The InChIKey is QJBKOMPRKJEZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9-10(2)17-18-14(12(9)7-15)19-13-6-4-3-5-11(13)8-16-19/h3-6,8H,7,15H2,1-2H3.
What are the key properties of (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine?
(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine has a molecular weight of 253.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine is sourced from PubChem (CID 62141117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).