6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine

C14H13N5O — CID 2982509

IUPAC6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine
SMILESCOc1cccc(Nc2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C14H13N5O/c1-20-12-4-2-3-11(9-12)16-13-5-6-14(18-17-13)19-8-7-15-10-19/h2-10H,1H3,(H,16,17)
InChIKeyAIARCLKVYAKFBE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.41
Rot. Bonds4

About 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine

6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine (PubChem CID 2982509) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine
PubChem CID2982509
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine
SMILESCOc1cccc(Nc2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C14H13N5O/c1-20-12-4-2-3-11(9-12)16-13-5-6-14(18-17-13)19-8-7-15-10-19/h2-10H,1H3,(H,16,17)
InChIKeyAIARCLKVYAKFBE-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-690514
CID 11349170
2,4-Disubstituted Pyrimidine 2f
CID 5329419
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
7-Methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385807
N-(3-methoxyphenyl)-1-methyl-6-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16801460
N-(3-methoxyphenyl)-1-methyl-6-(pyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44181709
3-N-(3,4-dimethoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56595558
n3-(2-Methoxy-phenyl)-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56595687
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]-N'-phenylurea
CID 57505525

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine (CID 2982509) is 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine is COc1cccc(Nc2ccc(-n3ccnc3)nn2)c1.
What is the InChIKey of 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine?
The InChIKey is AIARCLKVYAKFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-12-4-2-3-11(9-12)16-13-5-6-14(18-17-13)19-8-7-15-10-19/h2-10H,1H3,(H,16,17).
What are the key properties of 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine?
6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine has a molecular weight of 267.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(3-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 2982509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).