N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C12H11FN8 — CID 104739327

IUPACN-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(-c2ccncc2F)nc(-n2cncn2)n1
InChIInChI=1S/C12H11FN8/c1-2-16-11-18-10(8-3-4-14-5-9(8)13)19-12(20-11)21-7-15-6-17-21/h3-7H,2H2,1H3,(H,16,18,19,20)
InChIKeyKTVYKEMHWCIOFV-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.09
Rot. Bonds4

About N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 104739327) has the molecular formula C12H11FN8 and a molecular weight of 286.27 g/mol. Its IUPAC name is N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID104739327
Molecular FormulaC12H11FN8
Molecular Weight286.27 g/mol
Exact Mass286.11
IUPAC NameN-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(-c2ccncc2F)nc(-n2cncn2)n1
InChIInChI=1S/C12H11FN8/c1-2-16-11-18-10(8-3-4-14-5-9(8)13)19-12(20-11)21-7-15-6-17-21/h3-7H,2H2,1H3,(H,16,18,19,20)
InChIKeyKTVYKEMHWCIOFV-UHFFFAOYSA-N
XLogP1.09
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-4-(5-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 115375472
4-N-butyl-2-N-ethyl-4-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80753902
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
3-[ethyl-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 80787973
2-N-(2-chlorophenyl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 110190044
2-N-ethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 115988800
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
4-butoxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80865702
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 104739327) is N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CCNc1nc(-c2ccncc2F)nc(-n2cncn2)n1.
What is the InChIKey of N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is KTVYKEMHWCIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN8/c1-2-16-11-18-10(8-3-4-14-5-9(8)13)19-12(20-11)21-7-15-6-17-21/h3-7H,2H2,1H3,(H,16,18,19,20).
What are the key properties of N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 286.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-fluoro-4-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 104739327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).