3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine

C18H13FN10 — CID 11372644

IUPAC3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCn1nnnc1-c1cccc(Nc2ncc3nnn(-c4cccc(F)c4)c3n2)c1
InChIInChI=1S/C18H13FN10/c1-28-16(24-25-27-28)11-4-2-6-13(8-11)21-18-20-10-15-17(22-18)29(26-23-15)14-7-3-5-12(19)9-14/h2-10H,1H3,(H,20,21,22)
InChIKeyHGXDLGQMBHVAMO-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.28
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine

3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 11372644) has the molecular formula C18H13FN10 and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID11372644
Molecular FormulaC18H13FN10
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCn1nnnc1-c1cccc(Nc2ncc3nnn(-c4cccc(F)c4)c3n2)c1
InChIInChI=1S/C18H13FN10/c1-28-16(24-25-27-28)11-4-2-6-13(8-11)21-18-20-10-15-17(22-18)29(26-23-15)14-7-3-5-12(19)9-14/h2-10H,1H3,(H,20,21,22)
InChIKeyHGXDLGQMBHVAMO-UHFFFAOYSA-N
XLogP2.28
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(3-fluorophenyl)-N-(3-pyridin-3-ylphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 58691451
3-(3-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 58691441
3-(3-fluorophenyl)-N-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]triazolo[4,5-d]pyrimidin-5-amine
CID 11363205
(E)-3-[3-[[3-(3-methylphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]phenyl]prop-2-enoic acid
CID 70338306
3-N-[3-(3,5-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]benzene-1,3-diamine
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N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 141245795
3-[[3-(3,4,5-trimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]benzenesulfonamide
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CID 23384026
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
2-[4-(5-anilinotriazolo[4,5-d]pyrimidin-3-yl)phenyl]ethanol
CID 11588006
[3-(1-methyltetrazol-5-yl)phenyl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine (CID 11372644) is 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine is Cn1nnnc1-c1cccc(Nc2ncc3nnn(-c4cccc(F)c4)c3n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is HGXDLGQMBHVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN10/c1-28-16(24-25-27-28)11-4-2-6-13(8-11)21-18-20-10-15-17(22-18)29(26-23-15)14-7-3-5-12(19)9-14/h2-10H,1H3,(H,20,21,22).
What are the key properties of 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine?
3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 388.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 11372644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).