3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine

C14H18FN5 — CID 112938333

IUPAC3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCCc2ccccc2F)n1
InChIInChI=1S/C14H18FN5/c1-2-8-16-13-10-18-20-14(19-13)17-9-7-11-5-3-4-6-12(11)15/h3-6,10H,2,7-9H2,1H3,(H2,16,17,19,20)
InChIKeyRPGWTZFIFKYPTF-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.49
Rot. Bonds7

About 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine

3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938333) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938333
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCCc2ccccc2F)n1
InChIInChI=1S/C14H18FN5/c1-2-8-16-13-10-18-20-14(19-13)17-9-7-11-5-3-4-6-12(11)15/h3-6,10H,2,7-9H2,1H3,(H2,16,17,19,20)
InChIKeyRPGWTZFIFKYPTF-UHFFFAOYSA-N
XLogP2.49
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 10107438
3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 10244181
1,2,4-Triazolo[4,3,A]pyrazine,3-(2-fluorobenzyl)
CID 10332680
3-[(2,5-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 10446070
3-[(4-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 11777217
3-phenyl-N-(piperidin-1-ylmethyl)-1,2,4-triazin-6-amine
CID 46889616
N-(phenylmethyl)-1,2,4-triazin-3-amine
CID 69105599
5-(2-fluorophenyl)-N-[(1-isobutyl-4-piperidinyl)methyl]-1,2,4-triazin-3-amine
CID 25376302
N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 42286044
5-(4-fluorophenyl)-N-[2-(1-piperidinyl)ethyl]-1,2,4-triazin-3-amine
CID 42514045
N-cycloheptyl-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 42592223
8-N-[2-(2-fluorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260628

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938333) is 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1cnnc(NCCc2ccccc2F)n1.
What is the InChIKey of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is RPGWTZFIFKYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-2-8-16-13-10-18-20-14(19-13)17-9-7-11-5-3-4-6-12(11)15/h3-6,10H,2,7-9H2,1H3,(H2,16,17,19,20).
What are the key properties of 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-fluorophenyl)ethyl]-5-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).