2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine

C10H17N7O — CID 107054683

IUPAC2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccnn1Cc1nnn(C)n1
InChIInChI=1S/C10H17N7O/c1-16-14-10(13-15-16)8-17-9(3-4-12-17)7-11-5-6-18-2/h3-4,11H,5-8H2,1-2H3
InChIKeyGIOFCMWNNAGOEZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.81
Rot. Bonds7

About 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine

2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine (PubChem CID 107054683) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine
PubChem CID107054683
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccnn1Cc1nnn(C)n1
InChIInChI=1S/C10H17N7O/c1-16-14-10(13-15-16)8-17-9(3-4-12-17)7-11-5-6-18-2/h3-4,11H,5-8H2,1-2H3
InChIKeyGIOFCMWNNAGOEZ-UHFFFAOYSA-N
XLogP-0.81
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 107054678
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
2-methoxy-N-[(2-pent-3-ynylpyrazol-3-yl)methyl]ethanamine
CID 104811769
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
N-[[5-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107696935
N-[[3-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107041645
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
2-methoxy-N-[[4-[(2-methyltetrazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 107053257
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-3-yl]methyl]ethanamine
CID 103015783
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106720525
2-ethyl-N-(2-methoxyethyl)-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053196

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine (CID 107054683) is 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine is COCCNCc1ccnn1Cc1nnn(C)n1.
What is the InChIKey of 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine?
The InChIKey is GIOFCMWNNAGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16-14-10(13-15-16)8-17-9(3-4-12-17)7-11-5-6-18-2/h3-4,11H,5-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine?
2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine has a molecular weight of 251.29 g/mol, XLogP of -0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(2-methyltetrazol-5-yl)methyl]pyrazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107054683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).