N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine

C12H14N4O — CID 61312329

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
SMILESCOc1ncccc1CNc1ccc(C)nn1
InChIInChI=1S/C12H14N4O/c1-9-5-6-11(16-15-9)14-8-10-4-3-7-13-12(10)17-2/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyONXIFEXSDVDBSY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.80
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine

N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine (PubChem CID 61312329) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
PubChem CID61312329
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
SMILESCOc1ncccc1CNc1ccc(C)nn1
InChIInChI=1S/C12H14N4O/c1-9-5-6-11(16-15-9)14-8-10-4-3-7-13-12(10)17-2/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyONXIFEXSDVDBSY-UHFFFAOYSA-N
XLogP1.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 121205932
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204100
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
N-[(2-methoxy-3-pyridinyl)methyl]-4-methyl-3-nitroaniline
CID 62912632

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine (CID 61312329) is N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine is COc1ncccc1CNc1ccc(C)nn1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine?
The InChIKey is ONXIFEXSDVDBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-5-6-11(16-15-9)14-8-10-4-3-7-13-12(10)17-2/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine has a molecular weight of 230.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 61312329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).