5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

C12H12ClN3O — CID 134419132

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2cc(Cl)cnn2)cc1
InChIInChI=1S/C12H12ClN3O/c1-17-11-4-2-9(3-5-11)7-14-12-6-10(13)8-15-16-12/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyPAEVJLVUUMBZCU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine

5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 134419132) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID134419132
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2cc(Cl)cnn2)cc1
InChIInChI=1S/C12H12ClN3O/c1-17-11-4-2-9(3-5-11)7-14-12-6-10(13)8-15-16-12/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyPAEVJLVUUMBZCU-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-chlorophenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951097
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
CID 121245197
6-chloro-8-fluoro-N-[(4-methoxyphenyl)methyl]phthalazin-1-amine
CID 168957431
5-N-(5-chloro-2-methylphenyl)-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951241
5-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951247
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
5-N-[(4-fluorophenyl)methyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949865
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
3-N-(3-methoxyphenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine (CID 134419132) is 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is COc1ccc(CNc2cc(Cl)cnn2)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is PAEVJLVUUMBZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-17-11-4-2-9(3-5-11)7-14-12-6-10(13)8-15-16-12/h2-6,8H,7H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine?
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 134419132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).