5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine

C13H13F3N4 — CID 11514685

IUPAC5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(N3CCNCC3)nccc2n1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-9-10(19-11)3-4-18-12(9)20-7-5-17-6-8-20/h1-4,17H,5-8H2
InChIKeyMIBMFJKAPFQBRL-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.06
Rot. Bonds1

About 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine

5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 11514685) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID11514685
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(N3CCNCC3)nccc2n1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-9-10(19-11)3-4-18-12(9)20-7-5-17-6-8-20/h1-4,17H,5-8H2
InChIKeyMIBMFJKAPFQBRL-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5011
Ngd-8243
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Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
(2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]-N-(quinolin-7-yl)prop-2-enamide
CID 11487127
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine (CID 11514685) is 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine is FC(F)(F)c1ccc2c(N3CCNCC3)nccc2n1.
What is the InChIKey of 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is MIBMFJKAPFQBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-9-10(19-11)3-4-18-12(9)20-7-5-17-6-8-20/h1-4,17H,5-8H2.
What are the key properties of 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine?
5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 282.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 11514685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).