1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C10H13FN6 — CID 107050582

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccncc1F
InChIInChI=1S/C10H13FN6/c1-12-9(5-10-14-16-17(2)15-10)7-3-4-13-6-8(7)11/h3-4,6,9,12H,5H2,1-2H3
InChIKeyUXHUXSQTODHFHP-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.25
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107050582) has the molecular formula C10H13FN6 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107050582
Molecular FormulaC10H13FN6
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccncc1F
InChIInChI=1S/C10H13FN6/c1-12-9(5-10-14-16-17(2)15-10)7-3-4-13-6-8(7)11/h3-4,6,9,12H,5H2,1-2H3
InChIKeyUXHUXSQTODHFHP-UHFFFAOYSA-N
XLogP0.25
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
N-methyl-2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethanamine
CID 107065105
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064877
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-methylpropan-1-amine
CID 104738162
1-(1H-imidazol-2-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050353
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
CID 104738272
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065279
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107050582) is 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is UXHUXSQTODHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6/c1-12-9(5-10-14-16-17(2)15-10)7-3-4-13-6-8(7)11/h3-4,6,9,12H,5H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 236.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107050582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).