1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine

C14H13FN6 — CID 105390551

IUPAC1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(-n2nnc(-c3ccccc3)n2)c1F
InChIInChI=1S/C14H13FN6/c1-16-9-11-7-8-17-14(12(11)15)21-19-13(18-20-21)10-5-3-2-4-6-10/h2-8,16H,9H2,1H3
InChIKeyUGVLWUWWUDVPDQ-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.58
Rot. Bonds4

About 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105390551) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105390551
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(-n2nnc(-c3ccccc3)n2)c1F
InChIInChI=1S/C14H13FN6/c1-16-9-11-7-8-17-14(12(11)15)21-19-13(18-20-21)10-5-3-2-4-6-10/h2-8,16H,9H2,1H3
InChIKeyUGVLWUWWUDVPDQ-UHFFFAOYSA-N
XLogP1.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
1-(3-fluoro-2-pyrazol-1-yl-4-pyridinyl)-N-methylmethanamine
CID 105390553
N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine
CID 83185235
1-[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282042
1-[3-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390610
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-[2-(4-tert-butylpiperazin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389603
5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
CID 80631830
1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390662
5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
CID 61257439
[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
CID 62293246

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine (CID 105390551) is 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(-n2nnc(-c3ccccc3)n2)c1F.
What is the InChIKey of 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is UGVLWUWWUDVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c1-16-9-11-7-8-17-14(12(11)15)21-19-13(18-20-21)10-5-3-2-4-6-10/h2-8,16H,9H2,1H3.
What are the key properties of 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 284.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(5-phenyltetrazol-2-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105390551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).