1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

C14H19N3O3 — CID 62938735

IUPAC1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nccn(C3CC3)c2=O)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12-11(15-8-9-17(12)10-4-5-10)16-14(13(19)20)6-2-1-3-7-14/h8-10H,1-7H2,(H,15,16)(H,19,20)
InChIKeyXCEYSFULTNLYJC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.78
Rot. Bonds4

About 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid

1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 62938735) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID62938735
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nccn(C3CC3)c2=O)CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12-11(15-8-9-17(12)10-4-5-10)16-14(13(19)20)6-2-1-3-7-14/h8-10H,1-7H2,(H,15,16)(H,19,20)
InChIKeyXCEYSFULTNLYJC-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 62938735) is 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2nccn(C3CC3)c2=O)CCCCC1.
What is the InChIKey of 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XCEYSFULTNLYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-11(15-8-9-17(12)10-4-5-10)16-14(13(19)20)6-2-1-3-7-14/h8-10H,1-7H2,(H,15,16)(H,19,20).
What are the key properties of 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid?
1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62938735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).