N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine

C17H17N3O — CID 106834065

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCOc1ccc(CNCc2cccnn2)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-21-17-9-8-13(15-6-2-3-7-16(15)17)11-18-12-14-5-4-10-19-20-14/h2-10,18H,11-12H2,1H3
InChIKeyHAWUYSJXTFZQQR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.93
Rot. Bonds5

About N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106834065) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106834065
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCOc1ccc(CNCc2cccnn2)c2ccccc12
InChIInChI=1S/C17H17N3O/c1-21-17-9-8-13(15-6-2-3-7-16(15)17)11-18-12-14-5-4-10-19-20-14/h2-10,18H,11-12H2,1H3
InChIKeyHAWUYSJXTFZQQR-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112730045
1-(2-chloro-3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 63625676
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895370
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895882
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
2-methoxy-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895779

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106834065) is N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine is COc1ccc(CNCc2cccnn2)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is HAWUYSJXTFZQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-9-8-13(15-6-2-3-7-16(15)17)11-18-12-14-5-4-10-19-20-14/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106834065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).