N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

C18H16FN5 — CID 118262698

IUPACN-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cccc(CCF)n3)nc21
InChIInChI=1S/C18H16FN5/c1-24-15-8-10-20-11-14(15)13-5-6-17(23-18(13)24)22-16-4-2-3-12(21-16)7-9-19/h2-6,8,10-11H,7,9H2,1H3,(H,21,22,23)
InChIKeyBCEJAAVHOXGAMZ-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.77
Rot. Bonds4

About N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine

N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (PubChem CID 118262698) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.

Molecular Properties

Compound NameN-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
PubChem CID118262698
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC NameN-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
SMILESCn1c2ccncc2c2ccc(Nc3cccc(CCF)n3)nc21
InChIInChI=1S/C18H16FN5/c1-24-15-8-10-20-11-14(15)13-5-6-17(23-18(13)24)22-16-4-2-3-12(21-16)7-9-19/h2-6,8,10-11H,7,9H2,1H3,(H,21,22,23)
InChIKeyBCEJAAVHOXGAMZ-UHFFFAOYSA-N
XLogP3.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The IUPAC name of N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine (CID 118262698) is N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine.
What is the SMILES notation for N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The canonical SMILES for N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is Cn1c2ccncc2c2ccc(Nc3cccc(CCF)n3)nc21.
What is the InChIKey of N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
The InChIKey is BCEJAAVHOXGAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-24-15-8-10-20-11-14(15)13-5-6-17(23-18(13)24)22-16-4-2-3-12(21-16)7-9-19/h2-6,8,10-11H,7,9H2,1H3,(H,21,22,23).
What are the key properties of N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine?
N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine has a molecular weight of 321.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroethyl)-2-pyridinyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine is sourced from PubChem (CID 118262698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).