1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine

C9H12N6O — CID 114936716

IUPAC1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2nn[nH]n2)cn1
InChIInChI=1S/C9H12N6O/c1-16-9-3-2-7(5-11-9)4-10-6-8-12-14-15-13-8/h2-3,5,10H,4,6H2,1H3,(H,12,13,14,15)
InChIKeyHEGXYMYNXYVQQW-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.11
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine

1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine (PubChem CID 114936716) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
PubChem CID114936716
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2nn[nH]n2)cn1
InChIInChI=1S/C9H12N6O/c1-16-9-3-2-7(5-11-9)4-10-6-8-12-14-15-13-8/h2-3,5,10H,4,6H2,1H3,(H,12,13,14,15)
InChIKeyHEGXYMYNXYVQQW-UHFFFAOYSA-N
XLogP-0.11
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 43644985
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
1-(6-methoxy-3-pyridinyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
CID 62748169
2,2-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 62989233
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
(2R)-1-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 105014317
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(6-methoxy-3-pyridinyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 28712766
5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N'-hydroxy-3-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropanimidamide
CID 77032726
1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66129481

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine (CID 114936716) is 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine is COc1ccc(CNCc2nn[nH]n2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The InChIKey is HEGXYMYNXYVQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-16-9-3-2-7(5-11-9)4-10-6-8-12-14-15-13-8/h2-3,5,10H,4,6H2,1H3,(H,12,13,14,15).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine has a molecular weight of 220.24 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-(2H-tetrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 114936716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).