6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine

C14H19FN6 — CID 75504417

IUPAC6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nnc3n2CCCC3)c1F
InChIInChI=1S/C14H19FN6/c1-2-10-13(15)14(18-9-17-10)16-7-6-12-20-19-11-5-3-4-8-21(11)12/h9H,2-8H2,1H3,(H,16,17,18)
InChIKeyDVBXICVMSBALDM-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.76
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 75504417) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
PubChem CID75504417
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCc2nnc3n2CCCC3)c1F
InChIInChI=1S/C14H19FN6/c1-2-10-13(15)14(18-9-17-10)16-7-6-12-20-19-11-5-3-4-8-21(11)12/h9H,2-8H2,1H3,(H,16,17,18)
InChIKeyDVBXICVMSBALDM-UHFFFAOYSA-N
XLogP1.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 72144461
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 72144468
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 72146566
6-ethyl-5-methyl-N~4~-[3-(4H-1,2,4-triazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 72929761
4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine
CID 97281561
(8S)-N-[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97320086
N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 132385480
(5S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridin-5-amine
CID 164630023
6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 164633271
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955
6-Fluoro-5-methyl-7-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 142415487
N-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 53541223

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine (CID 75504417) is 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NCCc2nnc3n2CCCC3)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DVBXICVMSBALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-2-10-13(15)14(18-9-17-10)16-7-6-12-20-19-11-5-3-4-8-21(11)12/h9H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 290.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 75504417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).