6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C10H13F3N4O — CID 114035608

IUPAC6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c1-2-3-15-8-5-14-4-7(17-8)9(18)16-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyCHJJRVSCYRIPOI-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.59
Rot. Bonds5

About 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 114035608) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID114035608
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCCCNc1cncc(C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c1-2-3-15-8-5-14-4-7(17-8)9(18)16-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyCHJJRVSCYRIPOI-UHFFFAOYSA-N
XLogP1.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106377129
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106408660
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N-benzyl-6-(heptylamino)pyrazine-2-carboxamide
CID 127038258
N-(3-cyclopropylpropyl)-6-(ethylamino)pyrazine-2-carboxamide
CID 114036099
6-methyl-N-propylpyrazine-2-carboxamide
CID 54299010
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-(ethylamino)-N-(2-methylbutan-2-yl)pyrazine-2-carboxamide
CID 114035629

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 114035608) is 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is CCCNc1cncc(C(=O)NCC(F)(F)F)n1.
What is the InChIKey of 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The InChIKey is CHJJRVSCYRIPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-2-3-15-8-5-14-4-7(17-8)9(18)16-6-10(11,12)13/h4-5H,2-3,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114035608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).