6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine

C9H13F3N4 — CID 80785273

IUPAC6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-2-3-14-7-4-13-5-8(16-7)15-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H2,14,15,16)
InChIKeyDSFWNHGCQLKLBD-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.27
Rot. Bonds5

About 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine

6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine (PubChem CID 80785273) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
PubChem CID80785273
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(NCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-2-3-14-7-4-13-5-8(16-7)15-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H2,14,15,16)
InChIKeyDSFWNHGCQLKLBD-UHFFFAOYSA-N
XLogP2.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 80736801
2-N-propan-2-yl-6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80814943
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-piperidin-1-yl-6-N-propylpyrazine-2,6-diamine
CID 83027760

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine (CID 80785273) is 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine is CCCNc1cncc(NCC(F)(F)F)n1.
What is the InChIKey of 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
The InChIKey is DSFWNHGCQLKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-2-3-14-7-4-13-5-8(16-7)15-6-9(10,11)12/h4-5H,2-3,6H2,1H3,(H2,14,15,16).
What are the key properties of 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine?
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).