N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

C14H16FN5 — CID 112941063

IUPACN-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESFc1ccc(CNc2nncc(N3CCCC3)n2)cc1
InChIInChI=1S/C14H16FN5/c15-12-5-3-11(4-6-12)9-16-14-18-13(10-17-19-14)20-7-1-2-8-20/h3-6,10H,1-2,7-9H2,(H,16,18,19)
InChIKeyXSBOAQFZLISWFC-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941063) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941063
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESFc1ccc(CNc2nncc(N3CCCC3)n2)cc1
InChIInChI=1S/C14H16FN5/c15-12-5-3-11(4-6-12)9-16-14-18-13(10-17-19-14)20-7-1-2-8-20/h3-6,10H,1-2,7-9H2,(H,16,18,19)
InChIKeyXSBOAQFZLISWFC-UHFFFAOYSA-N
XLogP2.22
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950060
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
5-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-1,2,4-triazin-3-amine
CID 112950042
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
N-[2-(4-fluorophenyl)ethyl]-5-morpholin-4-yl-1,2,4-triazin-3-amine
CID 112944060
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941832
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948395
4-[3-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946504
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941075
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112941063) is N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is Fc1ccc(CNc2nncc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is XSBOAQFZLISWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c15-12-5-3-11(4-6-12)9-16-14-18-13(10-17-19-14)20-7-1-2-8-20/h3-6,10H,1-2,7-9H2,(H,16,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 273.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).